CID 75994690

1-methyl-2-azabicyclo[4.1.0]heptane hydrochloride

Structural Information

Molecular Formula

C₇H₁₃N

SMILES

CC12CC1CCCN2

InChI

InChI=1S/C7H13N/c1-7-5-6(7)3-2-4-8-7/h6,8H,2-5H2,1H3

InChIKey

IPHCJUUDDNAWFN-UHFFFAOYSA-N

Compound name

1-methyl-2-azabicyclo[4.1.0]heptane

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 111.1048 Da
Monoisotopic Mass: 0.9
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]+	112.11208	125.9
[M+Na]+	134.09402	138.6
[M+NH4]+	129.13862	137.6
[M+K]+	150.06796	131.8
[M-H]-	110.09752	134.6
[M+Na-2H]-	132.07947	134.9
[M]+	111.10425	131.4
[M]-	111.10535	131.4

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.