CID 4988163

153752-69-3

Structural Information

Molecular Formula
C11H12O2
SMILES
CC1CCC2=C(C1=O)C=CC(=C2)O
InChI
InChI=1S/C11H12O2/c1-7-2-3-8-6-9(12)4-5-10(8)11(7)13/h4-7,12H,2-3H2,1H3
InChIKey
SJTCXXFPNYUGKO-UHFFFAOYSA-N
Compound name
6-hydroxy-2-methyl-3,4-dihydro-2H-naphthalen-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

176.08372 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 177.09100 134.6
[M+Na]+ 199.07294 143.2
[M-H]- 175.07644 138.1
[M+NH4]+ 194.11754 155.7
[M+K]+ 215.04688 140.0
[M+H-H2O]+ 159.08098 129.5
[M+HCOO]- 221.08192 154.7
[M+CH3COO]- 235.09757 179.5
[M+Na-2H]- 197.05839 140.6
[M]+ 176.08317 132.6
[M]- 176.08427 132.6
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.