PubChemLite - 2,3-diphytanyl-sn-glycerol (C43H88O3)

Structural Information

Molecular Formula

SMILES

C[C@H](CCC[C@H](C)CCCC(C)C)CCC[C@@H](C)CCOC[C@@H](CO)OCC[C@H](C)CCC[C@H](C)CCC[C@H](C)CCCC(C)C

InChI

InChI=1S/C43H88O3/c1-35(2)17-11-19-37(5)21-13-23-39(7)25-15-27-41(9)29-31-45-34-43(33-44)46-32-30-42(10)28-16-26-40(8)24-14-22-38(6)20-12-18-36(3)4/h35-44H,11-34H2,1-10H3/t37-,38-,39-,40-,41-,42-,43-/m1/s1

InChIKey

ISDBCJSGCHUHFI-UMZPFTBHSA-N

Compound name

(2R)-2,3-bis[(3R,7R,11R)-3,7,11,15-tetramethylhexadecoxy]propan-1-ol

Related CIDs

2D Structure

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	653.68062	286.1
[M+Na]+	675.66256	285.5
[M+NH4]+	670.70716	290.6
[M+K]+	691.63650	286.3
[M-H]-	651.66606	274.0
[M+Na-2H]-	673.64801	283.5
[M]+	652.67279	283.1
[M]-	652.67389	283.1

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

653.68062

286.1

[M+Na]+

675.66256

285.5

[M+NH4]+

670.70716

290.6

[M+K]+

691.63650

286.3

[M-H]-

651.66606

274.0

[M+Na-2H]-

673.64801

283.5

[M]+

652.67279

283.1

[M]-

652.67389

283.1

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.

2,3-diphytanyl-sn-glycerol

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

Patent stripe