CID 239604

4242-18-6

Structural Information

Molecular Formula

C₁₁H₁₂O₂

SMILES

C1CCC2=C(C1)C=CC=C2C(=O)O

InChI

InChI=1S/C11H12O2/c12-11(13)10-7-3-5-8-4-1-2-6-9(8)10/h3,5,7H,1-2,4,6H2,(H,12,13)

InChIKey

GCFQXKYHWFWGSB-UHFFFAOYSA-N

Compound name

5,6,7,8-tetrahydronaphthalene-1-carboxylic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 2
References: 335
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]+	177.090996	135.6
[M+Na]+	199.072938	142.0
[M-H]-	175.076444	138.4
[M+NH4]+	194.117543	156.0
[M+K]+	215.046878	139.3
[M+H-H2O]+	159.080980	130.1
[M+HCOO]-	221.081921	154.7
[M+CH3COO]-	235.097571	178.0
[M+Na-2H]-	197.058386	141.7
[M]+	176.08317142	132.2
[M]-	176.08426858	132.2

Literature stripe

literature stripe

Patent stripe

patents stripe