CID 76079

4-aminobenzamide

Structural Information

Molecular Formula
C7H8N2O
SMILES
C1=CC(=CC=C1C(=O)N)N
InChI
InChI=1S/C7H8N2O/c8-6-3-1-5(2-4-6)7(9)10/h1-4H,8H2,(H2,9,10)
InChIKey
QIKYZXDTTPVVAC-UHFFFAOYSA-N
Compound name
4-aminobenzamide
Related CIDs

2D Structure

compound 2d structure
5
Annotation Hits

32
References

6268
Patents

136.06366 Da
Monoisotopic Mass

-0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 137.070936 125.8
[M+Na]+ 159.052878 133.4
[M-H]- 135.056384 129.1
[M+NH4]+ 154.097483 146.6
[M+K]+ 175.026818 131.5
[M+H-H2O]+ 119.060920 120.1
[M+HCOO]- 181.061861 151.3
[M+CH3COO]- 195.077511 176.8
[M+Na-2H]- 157.038326 131.6
[M]+ 136.06311142 121.9
[M]- 136.06420858 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