CID 70287

935-42-2

Structural Information

Molecular Formula

C₁₀H₁₃N

SMILES

C1CC1(CN)C2=CC=CC=C2

InChI

InChI=1S/C10H13N/c11-8-10(6-7-10)9-4-2-1-3-5-9/h1-5H,6-8,11H2

InChIKey

FUEMGCALFIHXAS-UHFFFAOYSA-N

Compound name

(1-phenylcyclopropyl)methanamine

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 2
References: 167
Patents: 147.1048 Da
Monoisotopic Mass: 1.5
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]+	148.112076	128.8
[M+Na]+	170.094018	137.7
[M-H]-	146.097524	136.2
[M+NH4]+	165.138623	146.7
[M+K]+	186.067958	135.5
[M+H-H2O]+	130.102060	123.2
[M+HCOO]-	192.103001	153.8
[M+CH3COO]-	206.118651	180.1
[M+Na-2H]-	168.079466	137.5
[M]+	147.10425142	129.0
[M]-	147.10534858	129.0

Literature stripe

literature stripe

Patent stripe

patents stripe