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]+ 191.07027 138.2
[M+Na]+ 213.05221 150.5
[M+NH4]+ 208.09681 146.7
[M+K]+ 229.02615 144.8
[M-H]- 189.05571 139.8
[M+Na-2H]- 211.03766 143.4
[M]+ 190.06244 140.3
[M]- 190.06354 140.3
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.