CID 13981154

111233-95-5

Structural Information

Molecular Formula

C₈H₈O₂

SMILES

C1C2C3C2C4(C1C34)C(=O)O

InChI

InChI=1S/C8H8O2/c9-7(10)8-3-1-2-4(5(2)8)6(3)8/h2-6H,1H2,(H,9,10)

InChIKey

ZQVIGQPPRLWBGO-UHFFFAOYSA-N

Compound name

tetracyclo[3.2.0.02,7.04,6]heptane-1-carboxylic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1
Patents: 136.05243 Da
Monoisotopic Mass: 0.5
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]+	137.05971	109.3
[M+Na]+	159.04165	117.0
[M+NH4]+	154.08625	117.8
[M+K]+	175.01559	119.2
[M-H]-	135.04515	118.4
[M+Na-2H]-	157.02710	113.9
[M]+	136.05188	114.1
[M]-	136.05298	114.1

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe