CID 103836

Decahydro-2,5,5,8a-tetramethylnaphthalene-1-ethanol

Structural Information

Molecular Formula
C16H30O
SMILES
CC1CCC2C(CCCC2(C1CCO)C)(C)C
InChI
InChI=1S/C16H30O/c1-12-6-7-14-15(2,3)9-5-10-16(14,4)13(12)8-11-17/h12-14,17H,5-11H2,1-4H3
InChIKey
ZWDUZFUFYAXULG-UHFFFAOYSA-N
Compound name
2-(2,5,5,8a-tetramethyl-1,2,3,4,4a,6,7,8-octahydronaphthalen-1-yl)ethanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

13
Patents

238.22966 Da
Monoisotopic Mass

5.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 239.236936 159.5
[M+Na]+ 261.218878 164.6
[M-H]- 237.222384 161.6
[M+NH4]+ 256.263483 182.1
[M+K]+ 277.192818 161.4
[M+H-H2O]+ 221.226920 154.9
[M+HCOO]- 283.227861 172.9
[M+CH3COO]- 297.243511 193.8
[M+Na-2H]- 259.204326 161.9
[M]+ 238.22911142 154.8
[M]- 238.23020858 154.8
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