CID 15332365

Tert-butyl 2-oxa-3-azabicyclo[2.2.1]hept-5-ene-3-carboxylate

Structural Information

Molecular Formula

C₁₀H₁₅NO₃

SMILES

CC(C)(C)OC(=O)N1C2CC(O1)C=C2

InChI

InChI=1S/C10H15NO3/c1-10(2,3)13-9(12)11-7-4-5-8(6-7)14-11/h4-5,7-8H,6H2,1-3H3

InChIKey

JKCMHTNELDNMNY-UHFFFAOYSA-N

Compound name

tert-butyl 2-oxa-3-azabicyclo[2.2.1]hept-5-ene-3-carboxylate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 45
Patents: 197.1052 Da
Monoisotopic Mass: 1.6
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]+	198.11248	142.3
[M+Na]+	220.09442	150.6
[M+NH4]+	215.13902	149.8
[M+K]+	236.06836	151.1
[M-H]-	196.09792	141.7
[M+Na-2H]-	218.07987	142.7
[M]+	197.10465	143.0
[M]-	197.10575	143.0

Literature stripe

literature stripe

Patent stripe

patents stripe