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]+ 177.090996 134.6
[M+Na]+ 199.072938 143.2
[M-H]- 175.076444 138.1
[M+NH4]+ 194.117543 155.7
[M+K]+ 215.046878 140.0
[M+H-H2O]+ 159.080980 129.5
[M+HCOO]- 221.081921 154.7
[M+CH3COO]- 235.097571 179.5
[M+Na-2H]- 197.058386 140.6
[M]+ 176.08317142 132.6
[M]- 176.08426858 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.