CID 45089930

927679-50-3

Structural Information

Molecular Formula

C₇H₁₁NO₂

SMILES

COC(=O)[C@@H]1[C@@H]2C[C@@H]2CN1

InChI

InChI=1S/C7H11NO2/c1-10-7(9)6-5-2-4(5)3-8-6/h4-6,8H,2-3H2,1H3/t4-,5-,6+/m1/s1

InChIKey

XRILGDCLXWSSHU-PBXRRBTRSA-N

Compound name

methyl (1R,2S,5S)-3-azabicyclo[3.1.0]hexane-2-carboxylate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 4
Patents: 141.07898 Da
Monoisotopic Mass: 0.2
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	130.7
[M+Na]+	164.06820	141.3
[M+NH4]+	159.11280	139.3
[M+K]+	180.04214	139.9
[M-H]-	140.07170	137.1
[M+Na-2H]-	162.05365	135.6
[M]+	141.07843	134.8
[M]-	141.07953	134.8

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe