CID 86289472

1-decyl-sn-glycero-3-phosphocholine

Structural Information

Molecular Formula
C18H41NO6P
SMILES
CCCCCCCCCCOC[C@H](COP(=O)(O)OCC[N+](C)(C)C)O
InChI
InChI=1S/C18H40NO6P/c1-5-6-7-8-9-10-11-12-14-23-16-18(20)17-25-26(21,22)24-15-13-19(2,3)4/h18,20H,5-17H2,1-4H3/p+1/t18-/m1/s1
InChIKey
ZZHOJTIIWHVSBP-GOSISDBHSA-O
Compound name
2-[[(2R)-3-decoxy-2-hydroxypropoxy]-hydroxyphosphoryl]oxyethyl-trimethylazanium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

398.26715 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 399.27443 205.4
[M+Na]+ 421.25637 209.1
[M-H]- 397.25987 201.1
[M+NH4]+ 416.30097 206.5
[M+K]+ 437.23031 202.2
[M+H-H2O]+ 381.26441 190.6
[M+HCOO]- 443.26535 221.1
[M+CH3COO]- 457.28100 217.9
[M+Na-2H]- 419.24182 191.9
[M]+ 398.26660 202.4
[M]- 398.26770 202.4
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.