CID 101370

1,2,3,4-tetrahydro-2-naphthoic acid

Structural Information

Molecular Formula

C₁₁H₁₂O₂

SMILES

C1CC2=CC=CC=C2CC1C(=O)O

InChI

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

InChIKey

NTAGXJQHJQUOOA-UHFFFAOYSA-N

Compound name

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

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 2
References: 865
Patents: 176.08372 Da
Monoisotopic Mass: 2.1
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]+	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