CID 103006

2-naphthalenecarboxylic acid, 1,2-dihydro-

Structural Information

Molecular Formula

C₁₁H₁₀O₂

SMILES

C1C(C=CC2=CC=CC=C21)C(=O)O

InChI

InChI=1S/C11H10O2/c12-11(13)10-6-5-8-3-1-2-4-9(8)7-10/h1-6,10H,7H2,(H,12,13)

InChIKey

NBKWXLWDPCYIHD-UHFFFAOYSA-N

Compound name

1,2-dihydronaphthalene-2-carboxylic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 12
Patents: 174.06808 Da
Monoisotopic Mass: 2.2
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]+	175.07536	134.9
[M+Na]+	197.05730	148.2
[M+NH4]+	192.10190	144.3
[M+K]+	213.03124	141.6
[M-H]-	173.06080	137.4
[M+Na-2H]-	195.04275	141.7
[M]+	174.06753	137.5
[M]-	174.06863	137.5

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe