PubChemLite - 22-hydroxyprotectin d1(1-) (C22H32O5)

Structural Information

Molecular Formula

SMILES

C(CC(=O)O)/C=C\C/C=C\C[C@H](/C=C/C=C/C=C\[C@H](C/C=C\CCO)O)O

InChI

InChI=1S/C22H32O5/c23-19-13-7-11-17-21(25)16-10-6-5-9-15-20(24)14-8-3-1-2-4-12-18-22(26)27/h2-11,15-16,20-21,23-25H,1,12-14,17-19H2,(H,26,27)/b4-2-,6-5+,8-3-,11-7-,15-9+,16-10-/t20-,21-/m1/s1

InChIKey

RXZULUQRGUAOLG-OCDBVANQSA-N

Compound name

(4Z,7Z,10R,11E,13E,15Z,17S,19Z)-10,17,22-trihydroxydocosa-4,7,11,13,15,19-hexaenoic acid

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]+	377.23226	199.1
[M+Na]+	399.21420	198.8
[M+NH4]+	394.25880	193.3
[M+K]+	415.18814	195.3
[M-H]-	375.21770	188.9
[M+Na-2H]-	397.19965	193.4
[M]+	376.22443	192.6
[M]-	376.22553	192.6

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

377.23226

199.1

[M+Na]+

399.21420

198.8

[M+NH4]+

394.25880

193.3

[M+K]+

415.18814

195.3

[M-H]-

375.21770

188.9

[M+Na-2H]-

397.19965

193.4

[M]+

376.22443

192.6

[M]-

376.22553

192.6

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

22-hydroxyprotectin d1(1-)

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

Patent stripe