CID 16774552

183609-12-3

Structural Information

Molecular Formula

C₁₀H₁₄N₂

SMILES

CC(C1=CN=CC=C1)NC2CC2

InChI

InChI=1S/C10H14N2/c1-8(12-10-4-5-10)9-3-2-6-11-7-9/h2-3,6-8,10,12H,4-5H2,1H3

InChIKey

XJCXOPUZWYXCES-UHFFFAOYSA-N

Compound name

N-(1-pyridin-3-ylethyl)cyclopropanamine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 8
Patents: 162.11569 Da
Monoisotopic Mass: 1.2
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]+	163.12297	135.3
[M+Na]+	185.10491	143.2
[M-H]-	161.10841	141.3
[M+NH4]+	180.14951	149.5
[M+K]+	201.07885	140.4
[M+H-H2O]+	145.11295	127.7
[M+HCOO]-	207.11389	159.1
[M+CH3COO]-	221.12954	184.4
[M+Na-2H]-	183.09036	142.7
[M]+	162.11514	135.9
[M]-	162.11624	135.9

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe