CID 1645

3-aminobenzamide

Structural Information

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

2D Structure

compound 2d structure
6
Annotation Hits

1058
References

8393
Patents

136.06366 Da
Monoisotopic Mass

-0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 137.07094 126.2
[M+Na]+ 159.05288 137.0
[M+NH4]+ 154.09748 134.5
[M+K]+ 175.02682 132.1
[M-H]- 135.05638 128.9
[M+Na-2H]- 157.03833 132.7
[M]+ 136.06311 128.2
[M]- 136.06421 128.2
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