CID 12598146

1914-65-4

Structural Information

Molecular Formula

C₁₁H₁₂O₂

SMILES

C1CC(C2=CC=CC=C2C1)C(=O)O

InChI

InChI=1S/C11H12O2/c12-11(13)10-7-3-5-8-4-1-2-6-9(8)10/h1-2,4,6,10H,3,5,7H2,(H,12,13)

InChIKey

VDLWTJCSPSUGOA-UHFFFAOYSA-N

Compound name

1,2,3,4-tetrahydronaphthalene-1-carboxylic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 6
References: 1524
Patents: 176.08372 Da
Monoisotopic Mass: 2.4
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	136.4
[M+Na]+	199.07294	148.8
[M+NH4]+	194.11754	145.8
[M+K]+	215.04688	142.3
[M-H]-	175.07644	138.8
[M+Na-2H]-	197.05839	142.3
[M]+	176.08317	138.7
[M]-	176.08427	138.7

Literature stripe

literature stripe

Patent stripe

patents stripe