CID 52922241

Pc(14:1(9z)/12:0)

Structural Information

Molecular Formula
C34H67NO8P
SMILES
CCCCCCCCCCCC(=O)O[C@H](COC(=O)CCCCCCC/C=C\CCCC)COP(=O)(O)OCC[N+](C)(C)C
InChI
InChI=1S/C34H66NO8P/c1-6-8-10-12-14-16-17-19-20-22-24-26-33(36)40-30-32(31-42-44(38,39)41-29-28-35(3,4)5)43-34(37)27-25-23-21-18-15-13-11-9-7-2/h12,14,32H,6-11,13,15-31H2,1-5H3/p+1/b14-12-/t32-/m1/s1
InChIKey
CISWNAJTARRYSF-AXLWDLOMSA-O
Compound name
2-[[(2R)-2-dodecanoyloxy-3-[(Z)-tetradec-9-enoyl]oxypropoxy]-hydroxyphosphoryl]oxyethyl-trimethylazanium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

648.46045 Da
Monoisotopic Mass

9.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 649.46773 260.6
[M+Na]+ 671.44967 263.9
[M-H]- 647.45317 257.4
[M+NH4]+ 666.49427 269.1
[M+K]+ 687.42361 263.3
[M+H-H2O]+ 631.45771 246.6
[M+HCOO]- 693.45865 269.0
[M+CH3COO]- 707.47430 266.0
[M+Na-2H]- 669.43512 242.7
[M]+ 648.45990 258.6
[M]- 648.46100 258.6
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.