CID 130033622

59258-05-8

Structural Information

Molecular Formula
C12H14O2
SMILES
CC1(CC2=C(C=CC(=C2)O)C(=O)C1)C
InChI
InChI=1S/C12H14O2/c1-12(2)6-8-5-9(13)3-4-10(8)11(14)7-12/h3-5,13H,6-7H2,1-2H3
InChIKey
BMCPHBWFKJTXEE-UHFFFAOYSA-N
Compound name
6-hydroxy-3,3-dimethyl-2,4-dihydronaphthalen-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

190.09938 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 191.106656 139.1
[M+Na]+ 213.088598 148.3
[M-H]- 189.092104 142.9
[M+NH4]+ 208.133203 161.8
[M+K]+ 229.062538 145.1
[M+H-H2O]+ 173.096640 134.4
[M+HCOO]- 235.097581 158.9
[M+CH3COO]- 249.113231 182.1
[M+Na-2H]- 211.074046 145.7
[M]+ 190.09883142 137.9
[M]- 190.09992858 137.9
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

patents stripe