CID 25866

13324-66-8

Structural Information

Molecular Formula

C₁₀H₁₃N

SMILES

C1CC1NCC2=CC=CC=C2

InChI

InChI=1S/C10H13N/c1-2-4-9(5-3-1)8-11-10-6-7-10/h1-5,10-11H,6-8H2

InChIKey

USBAUXJPPHVCTF-UHFFFAOYSA-N

Compound name

N-benzylcyclopropanamine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 8
References: 439
Patents: 147.1048 Da
Monoisotopic Mass: 2.1
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]+	148.11208	127.6
[M+Na]+	170.09402	135.7
[M-H]-	146.09752	135.0
[M+NH4]+	165.13862	143.7
[M+K]+	186.06796	132.9
[M+H-H2O]+	130.10206	120.9
[M+HCOO]-	192.10300	153.5
[M+CH3COO]-	206.11865	181.2
[M+Na-2H]-	168.07947	136.4
[M]+	147.10425	128.3
[M]-	147.10535	128.3

Literature stripe

literature stripe

Patent stripe

patents stripe