CID 39871581

1212063-26-7

Structural Information

Molecular Formula

C₇H₁₁NO₂

SMILES

COC(=O)C1[C@H]2[C@@H]1CNC2

InChI

InChI=1S/C7H11NO2/c1-10-7(9)6-4-2-8-3-5(4)6/h4-6,8H,2-3H2,1H3/t4-,5+,6?

InChIKey

LITPBZMWZQGLEL-XEAPYIEGSA-N

Compound name

methyl (1R,5S)-3-azabicyclo[3.1.0]hexane-6-carboxylate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 33
Patents: 141.07898 Da
Monoisotopic Mass: -0.3
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]+	142.08626	132.1
[M+Na]+	164.06820	141.9
[M-H]-	140.07170	134.8
[M+NH4]+	159.11280	149.7
[M+K]+	180.04214	138.7
[M+H-H2O]+	124.07624	126.6
[M+HCOO]-	186.07718	151.7
[M+CH3COO]-	200.09283	174.4
[M+Na-2H]-	162.05365	136.4
[M]+	141.07843	133.4
[M]-	141.07953	133.4

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe