CID 52929317

Pa(22:1(11z)/12:0)

Structural Information

Molecular Formula
C37H71O8P
SMILES
CCCCCCCCCCCC(=O)O[C@H](COC(=O)CCCCCCCCC/C=C\CCCCCCCCCC)COP(=O)(O)O
InChI
InChI=1S/C37H71O8P/c1-3-5-7-9-11-13-14-15-16-17-18-19-20-21-22-24-25-27-29-31-36(38)43-33-35(34-44-46(40,41)42)45-37(39)32-30-28-26-23-12-10-8-6-4-2/h17-18,35H,3-16,19-34H2,1-2H3,(H2,40,41,42)/b18-17-/t35-/m1/s1
InChIKey
WTZJEYIQLMYSBB-QEJMHMKOSA-N
Compound name
[(2R)-2-dodecanoyloxy-3-phosphonooxypropyl] (Z)-docos-11-enoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

674.48865 Da
Monoisotopic Mass

13.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 675.49593 266.0
[M+Na]+ 697.47787 267.3
[M-H]- 673.48137 255.7
[M+NH4]+ 692.52247 270.1
[M+K]+ 713.45181 269.1
[M+H-H2O]+ 657.48591 256.5
[M+HCOO]- 719.48685 268.1
[M+CH3COO]- 733.50250 272.0
[M+Na-2H]- 695.46332 245.6
[M]+ 674.48810 264.1
[M]- 674.48920 264.1
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.