CID 11126610

2-amino-n-benzylacetamide hydrochloride

Structural Information

Molecular Formula
C9H12N2O
SMILES
C1=CC=C(C=C1)CNC(=O)CN
InChI
InChI=1S/C9H12N2O/c10-6-9(12)11-7-8-4-2-1-3-5-8/h1-5H,6-7,10H2,(H,11,12)
InChIKey
MYZCBJRJVXAQIV-UHFFFAOYSA-N
Compound name
2-amino-N-benzylacetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

368
Patents

164.09496 Da
Monoisotopic Mass

0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 165.102236 134.9
[M+Na]+ 187.084178 140.6
[M-H]- 163.087684 137.9
[M+NH4]+ 182.128783 154.5
[M+K]+ 203.058118 138.6
[M+H-H2O]+ 147.092220 128.4
[M+HCOO]- 209.093161 160.3
[M+CH3COO]- 223.108811 181.7
[M+Na-2H]- 185.069626 141.3
[M]+ 164.09441142 132.2
[M]- 164.09550858 132.2
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