CID 210186

O-aminobenzoylcholine iodide

Structural Information

Molecular Formula
C12H19N2O2
SMILES
C[N+](C)(C)CCOC(=O)C1=CC=CC=C1N
InChI
InChI=1S/C12H18N2O2/c1-14(2,3)8-9-16-12(15)10-6-4-5-7-11(10)13/h4-7H,8-9H2,1-3H3,(H-,13,15)/p+1
InChIKey
UCKZDQSDTGXGFM-UHFFFAOYSA-O
Compound name
2-(2-aminobenzoyl)oxyethyl-trimethylazanium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

223.14465 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 224.151926 148.9
[M+Na]+ 246.133868 154.9
[M-H]- 222.137374 153.7
[M+NH4]+ 241.178473 167.2
[M+K]+ 262.107808 148.4
[M+H-H2O]+ 206.141910 145.3
[M+HCOO]- 268.142851 173.0
[M+CH3COO]- 282.158501 189.8
[M+Na-2H]- 244.119316 156.8
[M]+ 223.14410142 148.8
[M]- 223.14519858 148.8
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.