CID 130204248

Tert-butyl 4-hydroxy-2-azabicyclo[3.1.0]hexane-2-carboxylate

Structural Information

Molecular Formula

C₁₀H₁₇NO₃

SMILES

CC(C)(C)OC(=O)N1CC(C2C1C2)O

InChI

InChI=1S/C10H17NO3/c1-10(2,3)14-9(13)11-5-8(12)6-4-7(6)11/h6-8,12H,4-5H2,1-3H3

InChIKey

LALGCXBOUFABRE-UHFFFAOYSA-N

Compound name

tert-butyl 4-hydroxy-2-azabicyclo[3.1.0]hexane-2-carboxylate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 7
Patents: 199.12085 Da
Monoisotopic Mass: 0.7
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]+	200.128126	148.3
[M+Na]+	222.110068	158.1
[M-H]-	198.113574	151.2
[M+NH4]+	217.154673	164.2
[M+K]+	238.084008	154.9
[M+H-H2O]+	182.118110	143.6
[M+HCOO]-	244.119051	165.5
[M+CH3COO]-	258.134701	185.2
[M+Na-2H]-	220.095516	151.4
[M]+	199.12030142	152.0
[M]-	199.12139858	152.0

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe