CID 52929659

Pa(p-16:0/14:1(9z))

Structural Information

Molecular Formula
C33H63O7P
SMILES
CCCCCCCCCCCCCC/C=C\OC[C@H](COP(=O)(O)O)OC(=O)CCCCCCC/C=C\CCCC
InChI
InChI=1S/C33H63O7P/c1-3-5-7-9-11-13-15-16-17-19-21-23-25-27-29-38-30-32(31-39-41(35,36)37)40-33(34)28-26-24-22-20-18-14-12-10-8-6-4-2/h10,12,27,29,32H,3-9,11,13-26,28,30-31H2,1-2H3,(H2,35,36,37)/b12-10-,29-27-/t32-/m1/s1
InChIKey
SCKYVMUDCFXGAV-YRKBNYTQSA-N
Compound name
[(2R)-1-[(Z)-hexadec-1-enoxy]-3-phosphonooxypropan-2-yl] (Z)-tetradec-9-enoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

602.43115 Da
Monoisotopic Mass

11.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 603.43843 249.0
[M+Na]+ 625.42037 251.1
[M-H]- 601.42387 238.1
[M+NH4]+ 620.46497 250.9
[M+K]+ 641.39431 250.8
[M+H-H2O]+ 585.42841 239.3
[M+HCOO]- 647.42935 255.2
[M+CH3COO]- 661.44500 258.6
[M+Na-2H]- 623.40582 230.2
[M]+ 602.43060 246.3
[M]- 602.43170 246.3
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.