CID 16227143

918810-70-5

Structural Information

Molecular Formula

C₁₁H₁₄N₂O

SMILES

C1CC1C(=O)NC2=CC=CC(=C2)CN

InChI

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

InChIKey

JNRHHFULEHNVFO-UHFFFAOYSA-N

Compound name

N-[3-(aminomethyl)phenyl]cyclopropanecarboxamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 4
Patents: 190.11061 Da
Monoisotopic Mass: 0.4
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]+	191.11789	142.1
[M+Na]+	213.09983	154.1
[M+NH4]+	208.14443	150.9
[M+K]+	229.07377	149.6
[M-H]-	189.10333	152.9
[M+Na-2H]-	211.08528	151.7
[M]+	190.11006	147.7
[M]-	190.11116	147.7

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe