CID 171116416

1-(9,10-methylenehexadecanoyl)-sn-glycero-2,3-cyclic phosphate

Structural Information

Molecular Formula
C20H37O6P
SMILES
CCCCCCC1CC1CCCCCCCC(=O)OC[C@@H]2COP(=O)(O2)O
InChI
InChI=1S/C20H37O6P/c1-2-3-4-8-11-17-14-18(17)12-9-6-5-7-10-13-20(21)24-15-19-16-25-27(22,23)26-19/h17-19H,2-16H2,1H3,(H,22,23)/t17?,18?,19-/m1/s1
InChIKey
GKTQBJMLXAMCPC-CTWPCTMYSA-N
Compound name
[(4R)-2-hydroxy-2-oxo-1,3,2lambda5-dioxaphospholan-4-yl]methyl 8-(2-hexylcyclopropyl)octanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

404.2328 Da
Monoisotopic Mass

5.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 405.240076 199.3
[M+Na]+ 427.222018 203.4
[M-H]- 403.225524 203.8
[M+NH4]+ 422.266623 206.7
[M+K]+ 443.195958 202.1
[M+H-H2O]+ 387.230060 191.2
[M+HCOO]- 449.231001 219.5
[M+CH3COO]- 463.246651 222.4
[M+Na-2H]- 425.207466 195.9
[M]+ 404.23225142 210.5
[M]- 404.23334858 210.5
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.