CID 134812359

Pon-pe

Structural Information

Molecular Formula
C30H58NO9P
SMILES
CCCCCCCCCCCCCCCC(=O)OC[C@H](COP(=O)(O)OCCN)OC(=O)CCCCCCCC=O
InChI
InChI=1S/C30H58NO9P/c1-2-3-4-5-6-7-8-9-10-11-12-15-18-21-29(33)37-26-28(27-39-41(35,36)38-25-23-31)40-30(34)22-19-16-13-14-17-20-24-32/h24,28H,2-23,25-27,31H2,1H3,(H,35,36)/t28-/m1/s1
InChIKey
MVAIWYVEWHAGGD-MUUNZHRXSA-N
Compound name
[(2R)-3-[2-aminoethoxy(hydroxy)phosphoryl]oxy-2-(9-oxononanoyloxy)propyl] hexadecanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

607.38495 Da
Monoisotopic Mass

4.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 608.39223 248.7
[M+Na]+ 630.37417 252.6
[M-H]- 606.37767 243.8
[M+NH4]+ 625.41877 254.0
[M+K]+ 646.34811 250.1
[M+H-H2O]+ 590.38221 239.8
[M+HCOO]- 652.38315 252.3
[M+CH3COO]- 666.39880 262.2
[M+Na-2H]- 628.35962 231.0
[M]+ 607.38440 245.1
[M]- 607.38550 245.1
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.