CID 52929569

Pa(o-16:0/15:0)

Structural Information

Molecular Formula
C34H69O7P
SMILES
CCCCCCCCCCCCCCCCOC[C@H](COP(=O)(O)O)OC(=O)CCCCCCCCCCCCCC
InChI
InChI=1S/C34H69O7P/c1-3-5-7-9-11-13-15-17-18-20-22-24-26-28-30-39-31-33(32-40-42(36,37)38)41-34(35)29-27-25-23-21-19-16-14-12-10-8-6-4-2/h33H,3-32H2,1-2H3,(H2,36,37,38)/t33-/m1/s1
InChIKey
USFQGQAJIJRATN-MGBGTMOVSA-N
Compound name
[(2R)-1-hexadecoxy-3-phosphonooxypropan-2-yl] pentadecanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

620.4781 Da
Monoisotopic Mass

12.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 621.48538 257.0
[M+Na]+ 643.46732 257.7
[M-H]- 619.47082 244.0
[M+NH4]+ 638.51192 258.1
[M+K]+ 659.44126 258.7
[M+H-H2O]+ 603.47536 247.0
[M+HCOO]- 665.47630 261.0
[M+CH3COO]- 679.49195 264.0
[M+Na-2H]- 641.45277 236.6
[M]+ 620.47755 254.6
[M]- 620.47865 254.6
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.