CID 95688

6143-29-9

Structural Information

Molecular Formula

C₉H₁₂O₂

SMILES

CC(=O)OC1CC2CC1C=C2

InChI

InChI=1S/C9H12O2/c1-6(10)11-9-5-7-2-3-8(9)4-7/h2-3,7-9H,4-5H2,1H3

InChIKey

DRWRVXAXXGJZIO-UHFFFAOYSA-N

Compound name

2-bicyclo[2.2.1]hept-5-enyl acetate

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 2
References: 1562
Patents: 152.08372 Da
Monoisotopic Mass: 1.4
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]+	153.09100	132.0
[M+Na]+	175.07294	141.1
[M+NH4]+	170.11754	141.4
[M+K]+	191.04688	139.3
[M-H]-	151.07644	132.1
[M+Na-2H]-	173.05839	134.0
[M]+	152.08317	133.0
[M]-	152.08427	133.0

Literature stripe

literature stripe

Patent stripe

patents stripe