CID 6942

2-aminobenzamide

Structural Information

Molecular Formula
C7H8N2O
SMILES
C1=CC=C(C(=C1)C(=O)N)N
InChI
InChI=1S/C7H8N2O/c8-6-4-2-1-3-5(6)7(9)10/h1-4H,8H2,(H2,9,10)
InChIKey
PXBFMLJZNCDSMP-UHFFFAOYSA-N
Compound name
2-aminobenzamide
Related CIDs

2D Structure

compound 2d structure
6
Annotation Hits

298
References

25930
Patents

136.06366 Da
Monoisotopic Mass

0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 137.07094 125.8
[M+Na]+ 159.05288 133.4
[M-H]- 135.05638 129.1
[M+NH4]+ 154.09748 146.6
[M+K]+ 175.02682 131.5
[M+H-H2O]+ 119.06092 120.1
[M+HCOO]- 181.06186 151.3
[M+CH3COO]- 195.07751 176.8
[M+Na-2H]- 157.03833 131.6
[M]+ 136.06311 121.9
[M]- 136.06421 121.9
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