CID 52929584

Pa(o-18:0/14:0)

Structural Information

Molecular Formula
C35H71O7P
SMILES
CCCCCCCCCCCCCCCCCCOC[C@H](COP(=O)(O)O)OC(=O)CCCCCCCCCCCCC
InChI
InChI=1S/C35H71O7P/c1-3-5-7-9-11-13-15-16-17-18-19-21-23-25-27-29-31-40-32-34(33-41-43(37,38)39)42-35(36)30-28-26-24-22-20-14-12-10-8-6-4-2/h34H,3-33H2,1-2H3,(H2,37,38,39)/t34-/m1/s1
InChIKey
DZIXRSNOOAHRPQ-UUWRZZSWSA-N
Compound name
[(2R)-1-octadecoxy-3-phosphonooxypropan-2-yl] tetradecanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

634.4937 Da
Monoisotopic Mass

13.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 635.50098 260.4
[M+Na]+ 657.48292 260.9
[M-H]- 633.48642 247.0
[M+NH4]+ 652.52752 261.5
[M+K]+ 673.45686 262.3
[M+H-H2O]+ 617.49096 250.3
[M+HCOO]- 679.49190 264.0
[M+CH3COO]- 693.50755 266.8
[M+Na-2H]- 655.46837 239.6
[M]+ 634.49315 258.1
[M]- 634.49425 258.1
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.