CID 170913462

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

Structural Information

Molecular Formula
C8H13NO2
SMILES
CC1([C@H]2[C@@H]1CNC2)C(=O)OC
InChI
InChI=1S/C8H13NO2/c1-8(7(10)11-2)5-3-9-4-6(5)8/h5-6,9H,3-4H2,1-2H3/t5-,6+,8?
InChIKey
ZPURGBRBIVZREZ-OFWQXNEASA-N
Compound name
methyl (1R,5S)-6-methyl-3-azabicyclo[3.1.0]hexane-6-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

155.09464 Da
Monoisotopic Mass

0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 156.101916 136.9
[M+Na]+ 178.083858 147.0
[M-H]- 154.087364 139.8
[M+NH4]+ 173.128463 155.9
[M+K]+ 194.057798 144.4
[M+H-H2O]+ 138.091900 132.4
[M+HCOO]- 200.092841 155.9
[M+CH3COO]- 214.108491 176.8
[M+Na-2H]- 176.069306 141.8
[M]+ 155.09409142 139.1
[M]- 155.09518858 139.1
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.