CID 52923765

Pc(o-18:0/12:0)

Structural Information

Molecular Formula
C38H79NO7P
SMILES
CCCCCCCCCCCCCCCCCCOC[C@H](COP(=O)(O)OCC[N+](C)(C)C)OC(=O)CCCCCCCCCCC
InChI
InChI=1S/C38H78NO7P/c1-6-8-10-12-14-16-17-18-19-20-21-22-24-26-28-30-33-43-35-37(36-45-47(41,42)44-34-32-39(3,4)5)46-38(40)31-29-27-25-23-15-13-11-9-7-2/h37H,6-36H2,1-5H3/p+1/t37-/m1/s1
InChIKey
SCBCAJMFNKQLFX-DIPNUNPCSA-O
Compound name
2-[[(2R)-2-dodecanoyloxy-3-octadecoxypropoxy]-hydroxyphosphoryl]oxyethyl-trimethylazanium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

692.5594 Da
Monoisotopic Mass

12.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 693.56668 277.0
[M+Na]+ 715.54862 278.3
[M-H]- 691.55212 268.5
[M+NH4]+ 710.59322 282.3
[M+K]+ 731.52256 279.8
[M+H-H2O]+ 675.55666 261.6
[M+HCOO]- 737.55760 284.7
[M+CH3COO]- 751.57325 277.8
[M+Na-2H]- 713.53407 256.0
[M]+ 692.55885 274.7
[M]- 692.55995 274.7
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.