CID 17800025

503417-38-7

Structural Information

Molecular Formula

C₈H₁₀N₂

SMILES

C1CC1(C2=CN=CC=C2)N

InChI

InChI=1S/C8H10N2/c9-8(3-4-8)7-2-1-5-10-6-7/h1-2,5-6H,3-4,9H2

InChIKey

NCKHUCRTBXQWHQ-UHFFFAOYSA-N

Compound name

1-pyridin-3-ylcyclopropan-1-amine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 55
Patents: 134.0844 Da
Monoisotopic Mass: 0.1
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]+	135.09168	128.1
[M+Na]+	157.07362	137.9
[M-H]-	133.07712	134.3
[M+NH4]+	152.11822	145.1
[M+K]+	173.04756	135.7
[M+H-H2O]+	117.08166	121.8
[M+HCOO]-	179.08260	152.5
[M+CH3COO]-	193.09825	141.9
[M+Na-2H]-	155.05907	137.5
[M]+	134.08385	128.0
[M]-	134.08495	128.0

Literature stripe

literature stripe

Patent stripe

patents stripe