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

2
Patents

111.1048 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 112.112076 128.1
[M+Na]+ 134.094018 136.7
[M-H]- 110.097524 130.5
[M+NH4]+ 129.138623 146.8
[M+K]+ 150.067958 134.7
[M+H-H2O]+ 94.102060 122.7
[M+HCOO]- 156.103001 146.0
[M+CH3COO]- 170.118651 140.7
[M+Na-2H]- 132.079466 136.4
[M]+ 111.10425142 125.8
[M]- 111.10534858 125.8
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.