CID 78949

120-74-1

Structural Information

Molecular Formula

C₈H₁₀O₂

SMILES

C1C2CC(C1C=C2)C(=O)O

InChI

InChI=1S/C8H10O2/c9-8(10)7-4-5-1-2-6(7)3-5/h1-2,5-7H,3-4H2,(H,9,10)

InChIKey

FYGUSUBEMUKACF-UHFFFAOYSA-N

Compound name

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

Related CIDs

2D Structure

compound 2d structure

3
Annotation Hits: 3
References: 10278
Patents: 138.06808 Da
Monoisotopic Mass: 1.2
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]+	139.07536	127.7
[M+Na]+	161.05730	136.4
[M+NH4]+	156.10190	136.8
[M+K]+	177.03124	135.1
[M-H]-	137.06080	127.3
[M+Na-2H]-	159.04275	129.3
[M]+	138.06753	128.5
[M]-	138.06863	128.5

Literature stripe

literature stripe

Patent stripe

patents stripe