CID 202172

N-(cyclohexylmethyl)cyclopropanamine

Structural Information

Molecular Formula

C₁₀H₁₉N

SMILES

C1CCC(CC1)CNC2CC2

InChI

InChI=1S/C10H19N/c1-2-4-9(5-3-1)8-11-10-6-7-10/h9-11H,1-8H2

InChIKey

ZJWLQXHJCALARN-UHFFFAOYSA-N

Compound name

N-(cyclohexylmethyl)cyclopropanamine

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 0
References: 12
Patents: 153.15175 Da
Monoisotopic Mass: 2.7
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]+	154.159026	133.0
[M+Na]+	176.140968	138.1
[M-H]-	152.144474	139.4
[M+NH4]+	171.185573	148.6
[M+K]+	192.114908	136.0
[M+H-H2O]+	136.149010	126.2
[M+HCOO]-	198.149951	154.5
[M+CH3COO]-	212.165601	182.3
[M+Na-2H]-	174.126416	138.8
[M]+	153.15120142	129.6
[M]-	153.15229858	129.6

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe