CID 253249

3123-46-4

Structural Information

Molecular Formula
C11H10O3
SMILES
C1CC(=O)C2=CC=CC=C2C1C(=O)O
InChI
InChI=1S/C11H10O3/c12-10-6-5-9(11(13)14)7-3-1-2-4-8(7)10/h1-4,9H,5-6H2,(H,13,14)
InChIKey
KTWAOLHYZNAOLN-UHFFFAOYSA-N
Compound name
4-oxo-2,3-dihydro-1H-naphthalene-1-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

49
Patents

190.06299 Da
Monoisotopic Mass

1.3
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

patents stripe