CID 16495773

3-amino-2-methylbenzamide

Structural Information

Molecular Formula
C8H10N2O
SMILES
CC1=C(C=CC=C1N)C(=O)N
InChI
InChI=1S/C8H10N2O/c1-5-6(8(10)11)3-2-4-7(5)9/h2-4H,9H2,1H3,(H2,10,11)
InChIKey
QWMFKDZIWAENBE-UHFFFAOYSA-N
Compound name
3-amino-2-methylbenzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

100
Patents

150.07932 Da
Monoisotopic Mass

0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 151.08660 130.4
[M+Na]+ 173.06854 138.4
[M-H]- 149.07204 133.8
[M+NH4]+ 168.11314 150.9
[M+K]+ 189.04248 136.4
[M+H-H2O]+ 133.07658 124.7
[M+HCOO]- 195.07752 155.5
[M+CH3COO]- 209.09317 181.1
[M+Na-2H]- 171.05399 134.8
[M]+ 150.07877 127.2
[M]- 150.07987 127.2
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe