CID 2818493

5-oxo-5,6,7,8-tetrahydronaphthalene-2-carboxylic acid

Structural Information

Molecular Formula
C11H10O3
SMILES
C1CC2=C(C=CC(=C2)C(=O)O)C(=O)C1
InChI
InChI=1S/C11H10O3/c12-10-3-1-2-7-6-8(11(13)14)4-5-9(7)10/h4-6H,1-3H2,(H,13,14)
InChIKey
QSQVJZPPZDEILK-UHFFFAOYSA-N
Compound name
5-oxo-7,8-dihydro-6H-naphthalene-2-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

155
Patents

190.06299 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 191.07027 136.8
[M+Na]+ 213.05221 144.4
[M-H]- 189.05571 140.0
[M+NH4]+ 208.09681 156.8
[M+K]+ 229.02615 141.7
[M+H-H2O]+ 173.06025 131.4
[M+HCOO]- 235.06119 156.3
[M+CH3COO]- 249.07684 180.5
[M+Na-2H]- 211.03766 142.3
[M]+ 190.06244 134.6
[M]- 190.06354 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

literature stripe

Patent stripe

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