CID 15607334

154970-45-3

Structural Information

Molecular Formula

C₁₂H₁₈O₂

SMILES

CC(C)(C)OC(=O)C1CC2CC1C=C2

InChI

InChI=1S/C12H18O2/c1-12(2,3)14-11(13)10-7-8-4-5-9(10)6-8/h4-5,8-10H,6-7H2,1-3H3

InChIKey

BZBMBZJUNPMEBD-UHFFFAOYSA-N

Compound name

tert-butyl bicyclo[2.2.1]hept-5-ene-2-carboxylate

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 0
References: 3715
Patents: 194.13068 Da
Monoisotopic Mass: 2.5
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]+	195.13796	144.5
[M+Na]+	217.11990	152.7
[M+NH4]+	212.16450	153.2
[M+K]+	233.09384	151.5
[M-H]-	193.12340	143.8
[M+Na-2H]-	215.10535	145.7
[M]+	194.13013	145.3
[M]-	194.13123	145.3

Literature stripe

literature stripe

Patent stripe

patents stripe