CID 43137481

N-(3-aminopropyl)-n-methylcyclopropanamine

Structural Information

Molecular Formula

C₇H₁₆N₂

SMILES

CN(CCCN)C1CC1

InChI

InChI=1S/C7H16N2/c1-9(6-2-5-8)7-3-4-7/h7H,2-6,8H2,1H3

InChIKey

CMOHRTBZFZWVPQ-UHFFFAOYSA-N

Compound name

N'-cyclopropyl-N'-methylpropane-1,3-diamine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 4
Patents: 128.13135 Da
Monoisotopic Mass: 0.2
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]+	129.138626	127.3
[M+Na]+	151.120568	134.7
[M-H]-	127.124074	132.7
[M+NH4]+	146.165173	144.5
[M+K]+	167.094508	133.6
[M+H-H2O]+	111.128610	121.0
[M+HCOO]-	173.129551	153.2
[M+CH3COO]-	187.145201	184.3
[M+Na-2H]-	149.106016	133.4
[M]+	128.13080142	128.9
[M]-	128.13189858	128.9

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe