CID 433982

2-(benzylamino)acetamide

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

2
References

232
Patents

164.09496 Da
Monoisotopic Mass

0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 165.10224 134.6
[M+Na]+ 187.08418 140.3
[M-H]- 163.08768 137.5
[M+NH4]+ 182.12878 154.1
[M+K]+ 203.05812 138.3
[M+H-H2O]+ 147.09222 128.1
[M+HCOO]- 209.09316 160.0
[M+CH3COO]- 223.10881 182.4
[M+Na-2H]- 185.06963 141.1
[M]+ 164.09441 132.0
[M]- 164.09551 132.0
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