CID 210190

P-aminobenzoylcholine chloride

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

223.14465 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 224.15193 148.8
[M+Na]+ 246.13387 161.0
[M+NH4]+ 241.17847 157.4
[M+K]+ 262.10781 156.4
[M-H]- 222.13737 152.9
[M+Na-2H]- 244.11932 155.9
[M]+ 223.14410 151.9
[M]- 223.14520 151.9
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

No patent data available for this compound.