CID 574354

Trans-1,10-dimethyl-trans-9-decalinol

Structural Information

Molecular Formula
C12H22O
SMILES
CC1CCCC2C1(C(CCC2)O)C
InChI
InChI=1S/C12H22O/c1-9-5-3-6-10-7-4-8-11(13)12(9,10)2/h9-11,13H,3-8H2,1-2H3
InChIKey
CCVSBVCHUQDBJP-UHFFFAOYSA-N
Compound name
8,8a-dimethyl-2,3,4,4a,5,6,7,8-octahydro-1H-naphthalen-1-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

4
Patents

182.16707 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 183.174346 143.6
[M+Na]+ 205.156288 148.4
[M-H]- 181.159794 145.7
[M+NH4]+ 200.200893 166.1
[M+K]+ 221.130228 145.8
[M+H-H2O]+ 165.164330 138.7
[M+HCOO]- 227.165271 158.4
[M+CH3COO]- 241.180921 180.8
[M+Na-2H]- 203.141736 147.5
[M]+ 182.16652142 136.7
[M]- 182.16761858 136.7
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