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

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	156.101916	131.3
[M+Na]+	178.083858	141.1
[M-H]-	154.087364	136.5
[M+NH4]+	173.128463	150.1
[M+K]+	194.057798	138.1
[M+H-H2O]+	138.091900	126.5
[M+HCOO]-	200.092841	153.6
[M+CH3COO]-	214.108491	182.4
[M+Na-2H]-	176.069306	134.8
[M]+	155.09409142	133.1
[M]-	155.09518858	133.1

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.