CID 45140206

4-(1-aminocyclopropyl)benzonitrile hydrochloride

Structural Information

Molecular Formula

C₁₀H₁₀N₂

SMILES

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

InChI

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

InChIKey

GRTUEBYYYFNVJY-UHFFFAOYSA-N

Compound name

4-(1-aminocyclopropyl)benzonitrile

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 81
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	136.8
[M+Na]+	181.07362	150.0
[M+NH4]+	176.11822	144.4
[M+K]+	197.04756	140.3
[M-H]-	157.07712	140.2
[M+Na-2H]-	179.05907	145.9
[M]+	158.08385	140.1
[M]-	158.08495	140.1

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe