CID 100633189

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

Structural Information

Molecular Formula
C11H10O3
SMILES
C1CC2=C(CC1=O)C(=CC=C2)C(=O)O
InChI
InChI=1S/C11H10O3/c12-8-5-4-7-2-1-3-9(11(13)14)10(7)6-8/h1-3H,4-6H2,(H,13,14)
InChIKey
AUZZIGZCZHDNLJ-UHFFFAOYSA-N
Compound name
7-oxo-6,8-dihydro-5H-naphthalene-1-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

190.06299 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 191.070266 136.8
[M+Na]+ 213.052208 144.4
[M-H]- 189.055714 140.0
[M+NH4]+ 208.096813 156.8
[M+K]+ 229.026148 141.7
[M+H-H2O]+ 173.060250 131.4
[M+HCOO]- 235.061191 156.3
[M+CH3COO]- 249.076841 180.5
[M+Na-2H]- 211.037656 142.3
[M]+ 190.06244142 134.6
[M]- 190.06353858 134.6
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.