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
6
Annotation Hits

376
References

2787
Patents

182.16707 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 183.174346 144.2
[M+Na]+ 205.156288 149.2
[M-H]- 181.159794 146.4
[M+NH4]+ 200.200893 168.4
[M+K]+ 221.130228 146.7
[M+H-H2O]+ 165.164330 139.6
[M+HCOO]- 227.165271 159.1
[M+CH3COO]- 241.180921 179.5
[M+Na-2H]- 203.141736 149.8
[M]+ 182.16652142 137.3
[M]- 182.16761858 137.3
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