CID 7064053

3-amino-n-cyclopropylbenzamide

Structural Information

Molecular Formula
C10H12N2O
SMILES
C1CC1NC(=O)C2=CC(=CC=C2)N
InChI
InChI=1S/C10H12N2O/c11-8-3-1-2-7(6-8)10(13)12-9-4-5-9/h1-3,6,9H,4-5,11H2,(H,12,13)
InChIKey
XTQFXSVIFJUEAP-UHFFFAOYSA-N
Compound name
3-amino-N-cyclopropylbenzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

49
Patents

176.09496 Da
Monoisotopic Mass

0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 177.10224 133.1
[M+Na]+ 199.08418 141.5
[M-H]- 175.08768 140.5
[M+NH4]+ 194.12878 147.8
[M+K]+ 215.05812 138.0
[M+H-H2O]+ 159.09222 126.6
[M+HCOO]- 221.09316 158.9
[M+CH3COO]- 235.10881 187.6
[M+Na-2H]- 197.06963 139.4
[M]+ 176.09441 132.8
[M]- 176.09551 132.8
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