CID 20287702

51438-95-0

Structural Information

Molecular Formula
C12H16O
SMILES
CC1(CCCC2=C1C=CC(=C2)O)C
InChI
InChI=1S/C12H16O/c1-12(2)7-3-4-9-8-10(13)5-6-11(9)12/h5-6,8,13H,3-4,7H2,1-2H3
InChIKey
JKROICWEDYNFMA-UHFFFAOYSA-N
Compound name
5,5-dimethyl-7,8-dihydro-6H-naphthalen-2-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

42
Patents

176.12012 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 177.12740 138.4
[M+Na]+ 199.10934 151.9
[M+NH4]+ 194.15394 150.1
[M+K]+ 215.08328 142.5
[M-H]- 175.11284 141.8
[M+Na-2H]- 197.09479 146.3
[M]+ 176.11957 141.6
[M]- 176.12067 141.6
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

patents stripe