CID 52922478

Pc(17:0/12:0)

Structural Information

Molecular Formula
C37H75NO8P
SMILES
CCCCCCCCCCCCCCCCC(=O)OC[C@H](COP(=O)(O)OCC[N+](C)(C)C)OC(=O)CCCCCCCCCCC
InChI
InChI=1S/C37H74NO8P/c1-6-8-10-12-14-16-17-18-19-20-22-23-25-27-29-36(39)43-33-35(34-45-47(41,42)44-32-31-38(3,4)5)46-37(40)30-28-26-24-21-15-13-11-9-7-2/h35H,6-34H2,1-5H3/p+1/t35-/m1/s1
InChIKey
FKXLGHWVLBZNMB-PGUFJCEWSA-O
Compound name
2-[[(2R)-2-dodecanoyloxy-3-heptadecanoyloxypropoxy]-hydroxyphosphoryl]oxyethyl-trimethylazanium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

692.523 Da
Monoisotopic Mass

11.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 693.53028 273.0
[M+Na]+ 715.51222 275.1
[M-H]- 691.51572 267.8
[M+NH4]+ 710.55682 281.0
[M+K]+ 731.48616 276.2
[M+H-H2O]+ 675.52026 258.5
[M+HCOO]- 737.52120 279.3
[M+CH3COO]- 751.53685 275.6
[M+Na-2H]- 713.49767 253.3
[M]+ 692.52245 271.3
[M]- 692.52355 271.3
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.