CID 238721

N-(2-amino-2-oxoethyl)benzamide

Structural Information

Molecular Formula
C9H10N2O2
SMILES
C1=CC=C(C=C1)C(=O)NCC(=O)N
InChI
InChI=1S/C9H10N2O2/c10-8(12)6-11-9(13)7-4-2-1-3-5-7/h1-5H,6H2,(H2,10,12)(H,11,13)
InChIKey
AZKKVZSITQZVLP-UHFFFAOYSA-N
Compound name
N-(2-amino-2-oxoethyl)benzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

4
References

106
Patents

178.07423 Da
Monoisotopic Mass

-0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 179.08151 137.4
[M+Na]+ 201.06345 143.0
[M-H]- 177.06695 140.4
[M+NH4]+ 196.10805 156.1
[M+K]+ 217.03739 141.5
[M+H-H2O]+ 161.07149 130.8
[M+HCOO]- 223.07243 162.2
[M+CH3COO]- 237.08808 183.9
[M+Na-2H]- 199.04890 142.5
[M]+ 178.07368 134.8
[M]- 178.07478 134.8
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