CID 52929663

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

Structural Information

Molecular Formula
C35H67O7P
SMILES
CCCCCCCCCCCCCC/C=C\OC[C@H](COP(=O)(O)O)OC(=O)CCCCCCC/C=C\CCCCCC
InChI
InChI=1S/C35H67O7P/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-40-32-34(33-41-43(37,38)39)42-35(36)30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h14,16,29,31,34H,3-13,15,17-28,30,32-33H2,1-2H3,(H2,37,38,39)/b16-14-,31-29-/t34-/m1/s1
InChIKey
QXUJUCDNIZRFCB-DZRJQAFYSA-N
Compound name
[(2R)-1-[(Z)-hexadec-1-enoxy]-3-phosphonooxypropan-2-yl] (Z)-hexadec-9-enoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

630.46246 Da
Monoisotopic Mass

12.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 631.46974 255.8
[M+Na]+ 653.45168 257.6
[M-H]- 629.45518 244.2
[M+NH4]+ 648.49628 257.7
[M+K]+ 669.42562 258.1
[M+H-H2O]+ 613.45972 245.9
[M+HCOO]- 675.46066 261.2
[M+CH3COO]- 689.47631 264.2
[M+Na-2H]- 651.43713 236.1
[M]+ 630.46191 253.2
[M]- 630.46301 253.2
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.