CID 296927

697-25-6

Structural Information

Molecular Formula

C₈H₁₀O₂

SMILES

C1C2CC3C1C3(C2)C(=O)O

InChI

InChI=1S/C8H10O2/c9-7(10)8-3-4-1-5(8)6(8)2-4/h4-6H,1-3H2,(H,9,10)

InChIKey

GEWBSMIHSOBORP-UHFFFAOYSA-N

Compound name

tricyclo[2.2.1.02,6]heptane-1-carboxylic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 138.06808 Da
Monoisotopic Mass: 1.1
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	125.1
[M+Na]+	161.05730	134.0
[M+NH4]+	156.10190	137.4
[M+K]+	177.03124	134.1
[M-H]-	137.06080	129.8
[M+Na-2H]-	159.04275	126.6
[M]+	138.06753	128.7
[M]-	138.06863	128.7

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.