CID 1213

Octahydro-4,8a-dimethyl-4a(2h)-naphthol

Structural Information

Molecular Formula
C12H22O
SMILES
CC1CCCC2(C1(CCCC2)O)C
InChI
InChI=1S/C12H22O/c1-10-6-5-8-11(2)7-3-4-9-12(10,11)13/h10,13H,3-9H2,1-2H3
InChIKey
JLPUXFOGCDVKGO-UHFFFAOYSA-N
Compound name
4,8a-dimethyl-1,2,3,4,5,6,7,8-octahydronaphthalen-4a-ol
Related CIDs

2D Structure

compound 2d structure
5
Annotation Hits

374
References

2935
Patents

182.16707 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 183.17435 144.7
[M+Na]+ 205.15629 155.1
[M+NH4]+ 200.20089 157.5
[M+K]+ 221.13023 144.4
[M-H]- 181.15979 147.4
[M+Na-2H]- 203.14174 151.4
[M]+ 182.16652 147.2
[M]- 182.16762 147.2
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