CID 80466966

1-(1-methylcyclopropyl)cyclopropan-1-amine hydrochloride

Structural Information

Molecular Formula

C₇H₁₃N

SMILES

CC1(CC1)C2(CC2)N

InChI

InChI=1S/C7H13N/c1-6(2-3-6)7(8)4-5-7/h2-5,8H2,1H3

InChIKey

MOPZTANIEGEZHX-UHFFFAOYSA-N

Compound name

1-(1-methylcyclopropyl)cyclopropan-1-amine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1
Patents: 111.1048 Da
Monoisotopic Mass: 0.8
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	133.7
[M+Na]+	134.094018	141.4
[M-H]-	110.097524	141.1
[M+NH4]+	129.138623	147.4
[M+K]+	150.067958	142.9
[M+H-H2O]+	94.102060	130.5
[M+HCOO]-	156.103001	153.7
[M+CH3COO]-	170.118651	185.1
[M+Na-2H]-	132.079466	139.9
[M]+	111.10425142	136.0
[M]-	111.10534858	136.0

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe