CID 11206092

8,8-dimethyl-5,6,7,8-tetrahydronaphthalen-2-ol

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

0
References

14
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 138.0
[M+Na]+ 199.10934 146.0
[M-H]- 175.11284 141.4
[M+NH4]+ 194.15394 161.1
[M+K]+ 215.08328 142.9
[M+H-H2O]+ 159.11738 133.1
[M+HCOO]- 221.11832 157.4
[M+CH3COO]- 235.13397 179.7
[M+Na-2H]- 197.09479 145.1
[M]+ 176.11957 135.6
[M]- 176.12067 135.6
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