CID 171116417

1-(11,12-methyleneoctadecanoyl)-sn-glycero-2,3-cyclic phosphate

Structural Information

Molecular Formula
C22H41O6P
SMILES
CCCCCCC1CC1CCCCCCCCCC(=O)OC[C@@H]2COP(=O)(O2)O
InChI
InChI=1S/C22H41O6P/c1-2-3-4-10-13-19-16-20(19)14-11-8-6-5-7-9-12-15-22(23)26-17-21-18-27-29(24,25)28-21/h19-21H,2-18H2,1H3,(H,24,25)/t19?,20?,21-/m1/s1
InChIKey
MSNHTPNKCXMYOP-XVAXZDLZSA-N
Compound name
[(4R)-2-hydroxy-2-oxo-1,3,2lambda5-dioxaphospholan-4-yl]methyl 10-(2-hexylcyclopropyl)decanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

432.26407 Da
Monoisotopic Mass

6.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 433.27135 207.7
[M+Na]+ 455.25329 210.9
[M-H]- 431.25679 211.7
[M+NH4]+ 450.29789 213.9
[M+K]+ 471.22723 209.2
[M+H-H2O]+ 415.26133 199.3
[M+HCOO]- 477.26227 227.2
[M+CH3COO]- 491.27792 227.9
[M+Na-2H]- 453.23874 203.3
[M]+ 432.26352 219.6
[M]- 432.26462 219.6
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.