CID 11275150

3-(1-aminocyclopropyl)benzonitrile hydrochloride

Structural Information

Molecular Formula

C₁₀H₁₀N₂

SMILES

C1CC1(C2=CC=CC(=C2)C#N)N

InChI

InChI=1S/C10H10N2/c11-7-8-2-1-3-9(6-8)10(12)4-5-10/h1-3,6H,4-5,12H2

InChIKey

BZORZKOZFHXDCK-UHFFFAOYSA-N

Compound name

3-(1-aminocyclopropyl)benzonitrile

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1
Patents: 158.0844 Da
Monoisotopic Mass: 0.8
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]+	159.09168	132.1
[M+Na]+	181.07362	148.2
[M-H]-	157.07712	140.7
[M+NH4]+	176.11822	149.7
[M+K]+	197.04756	141.3
[M+H-H2O]+	141.08166	123.2
[M+HCOO]-	203.08260	155.1
[M+CH3COO]-	217.09825	194.2
[M+Na-2H]-	179.05907	141.0
[M]+	158.08385	129.6
[M]-	158.08495	129.6

Literature stripe

literature stripe

Patent stripe

patents stripe