CID 5313962

Pc(o-8:0/2:0)

Structural Information

Molecular Formula
C18H39NO7P
SMILES
CCCCCCCCOC[C@H](COP(=O)(O)OCC[N+](C)(C)C)OC(=O)C
InChI
InChI=1S/C18H38NO7P/c1-6-7-8-9-10-11-13-23-15-18(26-17(2)20)16-25-27(21,22)24-14-12-19(3,4)5/h18H,6-16H2,1-5H3/p+1/t18-/m1/s1
InChIKey
GNSZJQDOCBSIJN-GOSISDBHSA-O
Compound name
2-[[(2R)-2-acetyloxy-3-octoxypropoxy]-hydroxyphosphoryl]oxyethyl-trimethylazanium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

412.24643 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 413.25371 205.7
[M+Na]+ 435.23565 211.0
[M-H]- 411.23915 204.8
[M+NH4]+ 430.28025 211.8
[M+K]+ 451.20959 204.2
[M+H-H2O]+ 395.24369 192.9
[M+HCOO]- 457.24463 221.6
[M+CH3COO]- 471.26028 221.3
[M+Na-2H]- 433.22110 193.8
[M]+ 412.24588 204.1
[M]- 412.24698 204.1
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

patents stripe