CID 1014

Phosphocholine cation

Structural Information

Molecular Formula
C5H15NO4P
SMILES
C[N+](C)(C)CCOP(=O)(O)O
InChI
InChI=1S/C5H14NO4P/c1-6(2,3)4-5-10-11(7,8)9/h4-5H2,1-3H3,(H-,7,8,9)/p+1
InChIKey
YHHSONZFOIEMCP-UHFFFAOYSA-O
Compound name
trimethyl(2-phosphonooxyethyl)azanium
Related CIDs

2D Structure

compound 2d structure
8
Annotation Hits

6276
References

38810
Patents

184.07387 Da
Monoisotopic Mass

-1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 185.08115 137.2
[M+Na]+ 207.06309 144.1
[M-H]- 183.06659 135.7
[M+NH4]+ 202.10769 156.9
[M+K]+ 223.03703 139.2
[M+H-H2O]+ 167.07113 134.1
[M+HCOO]- 229.07207 163.6
[M+CH3COO]- 243.08772 174.0
[M+Na-2H]- 205.04854 146.2
[M]+ 184.07332 139.2
[M]- 184.07442 139.2
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe