CID 91670314

Tert-butyl 1,2-dihydroazete-1-carboxylate

Structural Information

Molecular Formula

C₈H₁₃NO₂

SMILES

CC(C)(C)OC(=O)N1CC=C1

InChI

InChI=1S/C8H13NO2/c1-8(2,3)11-7(10)9-5-4-6-9/h4-5H,6H2,1-3H3

InChIKey

WXEOUSQBCNRCJO-UHFFFAOYSA-N

Compound name

tert-butyl 2H-azete-1-carboxylate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 2
Patents: 155.09464 Da
Monoisotopic Mass: 1.1
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]+	156.10192	133.9
[M+Na]+	178.08386	139.9
[M+NH4]+	173.12846	137.1
[M+K]+	194.05780	137.8
[M-H]-	154.08736	130.6
[M+Na-2H]-	176.06931	136.1
[M]+	155.09409	132.5
[M]-	155.09519	132.5

Literature stripe

literature stripe

Patent stripe

patents stripe