CID 126821371

Rac-methyl (1r,3r,5r)-3-aminobicyclo[3.1.0]hexane-1-carboxylate hydrochloride

Structural Information

Molecular Formula
C8H13NO2
SMILES
COC(=O)C12CC1CC(C2)N
InChI
InChI=1S/C8H13NO2/c1-11-7(10)8-3-5(8)2-6(9)4-8/h5-6H,2-4,9H2,1H3
InChIKey
KNJVQXHJDWIZBM-UHFFFAOYSA-N
Compound name
methyl 3-aminobicyclo[3.1.0]hexane-1-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]+ 156.10192 132.4
[M+Na]+ 178.08386 142.0
[M-H]- 154.08736 137.5
[M+NH4]+ 173.12846 152.7
[M+K]+ 194.05780 139.9
[M+H-H2O]+ 138.09190 128.5
[M+HCOO]- 200.09284 154.3
[M+CH3COO]- 214.10849 180.8
[M+Na-2H]- 176.06931 137.6
[M]+ 155.09409 134.2
[M]- 155.09519 134.2
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.