CID 136650

825-03-6

Structural Information

Molecular Formula

C₉H₁₂O₂

SMILES

CC1(CC2CC1C=C2)C(=O)O

InChI

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

InChIKey

JIHFJSOMLKXSSQ-UHFFFAOYSA-N

Compound name

2-methylbicyclo[2.2.1]hept-5-ene-2-carboxylic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 2
References: 2760
Patents: 152.08372 Da
Monoisotopic Mass: 1.5
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]+	153.09100	132.6
[M+Na]+	175.07294	141.1
[M+NH4]+	170.11754	142.9
[M+K]+	191.04688	137.9
[M-H]-	151.07644	132.0
[M+Na-2H]-	173.05839	135.4
[M]+	152.08317	133.5
[M]-	152.08427	133.5

Literature stripe

literature stripe

Patent stripe

patents stripe