CID 58077199

936551-50-7

Structural Information

Molecular Formula

C₁₀H₁₇NO₂

SMILES

CC(C)(C)OC(=O)N1CC2CC2C1

InChI

InChI=1S/C10H17NO2/c1-10(2,3)13-9(12)11-5-7-4-8(7)6-11/h7-8H,4-6H2,1-3H3

InChIKey

GLWHHMBAMGJDAE-UHFFFAOYSA-N

Compound name

tert-butyl 3-azabicyclo[3.1.0]hexane-3-carboxylate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 151
Patents: 183.12593 Da
Monoisotopic Mass: 1.5
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]+	184.133206	146.4
[M+Na]+	206.115148	155.8
[M-H]-	182.118654	150.3
[M+NH4]+	201.159753	163.4
[M+K]+	222.089088	153.3
[M+H-H2O]+	166.123190	141.0
[M+HCOO]-	228.124131	165.0
[M+CH3COO]-	242.139781	184.6
[M+Na-2H]-	204.100596	150.3
[M]+	183.12538142	150.0
[M]-	183.12647858	150.0

Literature stripe

literature stripe

Patent stripe

patents stripe