CID 5313972

1-undecanoyl-sn-glycero-3-phosphocholine

Structural Information

Molecular Formula
C19H41NO7P
SMILES
CCCCCCCCCCC(=O)OC[C@H](COP(=O)(O)OCC[N+](C)(C)C)O
InChI
InChI=1S/C19H40NO7P/c1-5-6-7-8-9-10-11-12-13-19(22)25-16-18(21)17-27-28(23,24)26-15-14-20(2,3)4/h18,21H,5-17H2,1-4H3/p+1/t18-/m1/s1
InChIKey
OZRAIUXQMKVTIQ-GOSISDBHSA-O
Compound name
2-[hydroxy-[(2R)-2-hydroxy-3-undecanoyloxypropoxy]phosphoryl]oxyethyl-trimethylazanium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

3
Patents

426.26205 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 427.26933 208.0
[M+Na]+ 449.25127 212.1
[M-H]- 425.25477 206.2
[M+NH4]+ 444.29587 211.7
[M+K]+ 465.22521 205.6
[M+H-H2O]+ 409.25931 193.8
[M+HCOO]- 471.26025 221.7
[M+CH3COO]- 485.27590 221.7
[M+Na-2H]- 447.23672 194.9
[M]+ 426.26150 204.9
[M]- 426.26260 204.9
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