CID 52923739

Pc(o-16:0/15:0)

Structural Information

Molecular Formula
C39H81NO7P
SMILES
CCCCCCCCCCCCCCCCOC[C@H](COP(=O)(O)OCC[N+](C)(C)C)OC(=O)CCCCCCCCCCCCCC
InChI
InChI=1S/C39H80NO7P/c1-6-8-10-12-14-16-18-20-21-23-25-27-29-31-34-44-36-38(37-46-48(42,43)45-35-33-40(3,4)5)47-39(41)32-30-28-26-24-22-19-17-15-13-11-9-7-2/h38H,6-37H2,1-5H3/p+1/t38-/m1/s1
InChIKey
STLGSPGBYIURQE-KXQOOQHDSA-O
Compound name
2-[[(2R)-3-hexadecoxy-2-pentadecanoyloxypropoxy]-hydroxyphosphoryl]oxyethyl-trimethylazanium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

706.5751 Da
Monoisotopic Mass

13.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 707.58238 280.3
[M+Na]+ 729.56432 281.5
[M-H]- 705.56782 271.4
[M+NH4]+ 724.60892 285.7
[M+K]+ 745.53826 283.4
[M+H-H2O]+ 689.57236 264.8
[M+HCOO]- 751.57330 287.6
[M+CH3COO]- 765.58895 280.5
[M+Na-2H]- 727.54977 258.9
[M]+ 706.57455 278.0
[M]- 706.57565 278.0
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.