CID 132314107

2138217-56-6

Structural Information

Molecular Formula
C8H13NO2
SMILES
COC(=O)[C@@H]1C[C@@H]([C@@H]2[C@H]1C2)N
InChI
InChI=1S/C8H13NO2/c1-11-8(10)6-3-7(9)5-2-4(5)6/h4-7H,2-3,9H2,1H3/t4-,5+,6-,7+/m1/s1
InChIKey
HVBLUBWAWWNPLU-UCROKIRRSA-N
Compound name
methyl (1R,2R,4S,5S)-4-aminobicyclo[3.1.0]hexane-2-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

155.09464 Da
Monoisotopic Mass

0.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 156.10192 131.3
[M+Na]+ 178.08386 141.1
[M-H]- 154.08736 136.5
[M+NH4]+ 173.12846 150.1
[M+K]+ 194.05780 138.1
[M+H-H2O]+ 138.09190 126.5
[M+HCOO]- 200.09284 153.6
[M+CH3COO]- 214.10849 182.4
[M+Na-2H]- 176.06931 134.8
[M]+ 155.09409 133.1
[M]- 155.09519 133.1
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.