CID 15332365

99027-90-4

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	144.9
[M+Na]+	220.09442	152.9
[M-H]-	196.09792	147.5
[M+NH4]+	215.13902	167.2
[M+K]+	236.06836	153.6
[M+H-H2O]+	180.10246	141.0
[M+HCOO]-	242.10340	163.5
[M+CH3COO]-	256.11905	182.2
[M+Na-2H]-	218.07987	149.7
[M]+	197.10465	148.4
[M]-	197.10575	148.4

Literature stripe

literature stripe

Patent stripe

patents stripe