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]+ 405.24008 199.3
[M+Na]+ 427.22202 203.4
[M-H]- 403.22552 203.8
[M+NH4]+ 422.26662 206.7
[M+K]+ 443.19596 202.1
[M+H-H2O]+ 387.23006 191.2
[M+HCOO]- 449.23100 219.5
[M+CH3COO]- 463.24665 222.4
[M+Na-2H]- 425.20747 195.9
[M]+ 404.23225 210.5
[M]- 404.23335 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.