CID 16771509

4-(aminomethyl)-n-cyclopropylbenzamide hydrochloride

Structural Information

Molecular Formula

C₁₁H₁₄N₂O

SMILES

C1CC1NC(=O)C2=CC=C(C=C2)CN

InChI

InChI=1S/C11H14N2O/c12-7-8-1-3-9(4-2-8)11(14)13-10-5-6-10/h1-4,10H,5-7,12H2,(H,13,14)

InChIKey

HRSVHHPROYNBJY-UHFFFAOYSA-N

Compound name

4-(aminomethyl)-N-cyclopropylbenzamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 31
Patents: 190.11061 Da
Monoisotopic Mass: 0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	191.117886	137.3
[M+Na]+	213.099828	145.2
[M-H]-	189.103334	144.5
[M+NH4]+	208.144433	151.4
[M+K]+	229.073768	141.6
[M+H-H2O]+	173.107870	130.6
[M+HCOO]-	235.108811	162.8
[M+CH3COO]-	249.124461	190.5
[M+Na-2H]-	211.085276	143.1
[M]+	190.11006142	137.3
[M]-	190.11115858	137.3

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe