CID 70804

1131-63-1

Structural Information

Molecular Formula

C₁₁H₁₂O₂

SMILES

C1CCC2=C(C1)C=CC(=C2)C(=O)O

InChI

InChI=1S/C11H12O2/c12-11(13)10-6-5-8-3-1-2-4-9(8)7-10/h5-7H,1-4H2,(H,12,13)

InChIKey

RSWXAGBBPCRION-UHFFFAOYSA-N

Compound name

5,6,7,8-tetrahydronaphthalene-2-carboxylic acid

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 5
References: 285
Patents: 176.08372 Da
Monoisotopic Mass: 2.8
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]+	177.09100	135.6
[M+Na]+	199.07294	142.0
[M-H]-	175.07644	138.4
[M+NH4]+	194.11754	156.0
[M+K]+	215.04688	139.3
[M+H-H2O]+	159.08098	130.1
[M+HCOO]-	221.08192	154.7
[M+CH3COO]-	235.09757	178.0
[M+Na-2H]-	197.05839	141.7
[M]+	176.08317	132.2
[M]-	176.08427	132.2

Literature stripe

literature stripe

Patent stripe

patents stripe