CID 53481704

1-palmitoleyl-2-myristoleoyl-sn-glycero-3-phosphocholine

Structural Information

Molecular Formula
C38H75NO7P
SMILES
CCCCCC/C=C\CCCCCCCCOC[C@H](COP(=O)(O)OCC[N+](C)(C)C)OC(=O)CCCCCCC/C=C\CCCC
InChI
InChI=1S/C38H74NO7P/c1-6-8-10-12-14-16-18-19-20-22-24-26-28-30-33-43-35-37(36-45-47(41,42)44-34-32-39(3,4)5)46-38(40)31-29-27-25-23-21-17-15-13-11-9-7-2/h13,15-16,18,37H,6-12,14,17,19-36H2,1-5H3/p+1/b15-13-,18-16-/t37-/m1/s1
InChIKey
SPPSEAUTRSATJZ-LSVLUJLYSA-O
Compound name
2-[[(2R)-3-[(Z)-hexadec-9-enoxy]-2-[(Z)-tetradec-9-enoyl]oxypropoxy]-hydroxyphosphoryl]oxyethyl-trimethylazanium
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

0
References

59
Patents

688.52814 Da
Monoisotopic Mass

11.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 689.53542 272.3
[M+Na]+ 711.51736 274.9
[M-H]- 687.52086 265.4
[M+NH4]+ 706.56196 278.3
[M+K]+ 727.49130 275.5
[M+H-H2O]+ 671.52540 257.1
[M+HCOO]- 733.52634 281.6
[M+CH3COO]- 747.54199 274.8
[M+Na-2H]- 709.50281 252.4
[M]+ 688.52759 269.6
[M]- 688.52869 269.6
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.