CID 43163843

N-(cyclopropylmethyl)cyclopropanamine hydrochloride

Structural Information

Molecular Formula

C₇H₁₃N

SMILES

C1CC1CNC2CC2

InChI

InChI=1S/C7H13N/c1-2-6(1)5-8-7-3-4-7/h6-8H,1-5H2

InChIKey

XYPQMTYUTVPOPL-UHFFFAOYSA-N

Compound name

N-(cyclopropylmethyl)cyclopropanamine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 23
Patents: 111.1048 Da
Monoisotopic Mass: 1.1
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]+	112.112076	131.5
[M+Na]+	134.094018	138.4
[M-H]-	110.097524	138.8
[M+NH4]+	129.138623	142.3
[M+K]+	150.067958	137.4
[M+H-H2O]+	94.102060	125.6
[M+HCOO]-	156.103001	153.5
[M+CH3COO]-	170.118651	186.2
[M+Na-2H]-	132.079466	137.2
[M]+	111.10425142	133.6
[M]-	111.10534858	133.6

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe