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
(1R,5S)-N-methyl-3-azabicyclo[3.1.0]hexane-6-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

11
Patents

140.09496 Da
Monoisotopic Mass

-0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 141.10224 130.7
[M+Na]+ 163.08418 139.7
[M-H]- 139.08768 133.4
[M+NH4]+ 158.12878 148.1
[M+K]+ 179.05812 136.0
[M+H-H2O]+ 123.09222 125.0
[M+HCOO]- 185.09316 151.2
[M+CH3COO]- 199.10881 177.1
[M+Na-2H]- 161.06963 135.6
[M]+ 140.09441 130.0
[M]- 140.09551 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