CID 126591123

(1r,5s,6r)-n-methyl-3-azabicyclo[3.1.0]hexane-6-carboxamide hydrochloride

Structural Information

Molecular Formula
C7H12N2O
SMILES
CNC(=O)C1[C@H]2[C@@H]1CNC2
InChI
InChI=1S/C7H12N2O/c1-8-7(10)6-4-2-9-3-5(4)6/h4-6,9H,2-3H2,1H3,(H,8,10)/t4-,5+,6?
InChIKey
NRQZBLDRQCCBSJ-XEAPYIEGSA-N
Compound name
(1S,5R)-N-methyl-3-azabicyclo[3.1.0]hexane-6-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

12
Patents

140.09496 Da
Monoisotopic Mass

-0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 141.102236 130.7
[M+Na]+ 163.084178 139.7
[M-H]- 139.087684 133.4
[M+NH4]+ 158.128783 148.1
[M+K]+ 179.058118 136.0
[M+H-H2O]+ 123.092220 125.0
[M+HCOO]- 185.093161 151.2
[M+CH3COO]- 199.108811 177.1
[M+Na-2H]- 161.069626 135.6
[M]+ 140.09441142 130.0
[M]- 140.09550858 130.0
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

patents stripe