CID 6451691

Decahydro-2,5,5-trimethyl-2-naphthol

Structural Information

Molecular Formula
C13H24O
SMILES
CC1(CCCC2C1CCC(C2)(C)O)C
InChI
InChI=1S/C13H24O/c1-12(2)7-4-5-10-9-13(3,14)8-6-11(10)12/h10-11,14H,4-9H2,1-3H3
InChIKey
ZQNQUNNLSOTEJY-UHFFFAOYSA-N
Compound name
2,5,5-trimethyl-1,3,4,4a,6,7,8,8a-octahydronaphthalen-2-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

348
Patents

196.18271 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 197.189986 147.5
[M+Na]+ 219.171928 152.9
[M-H]- 195.175434 149.9
[M+NH4]+ 214.216533 171.4
[M+K]+ 235.145868 150.3
[M+H-H2O]+ 179.179970 143.0
[M+HCOO]- 241.180911 161.9
[M+CH3COO]- 255.196561 183.6
[M+Na-2H]- 217.157376 152.0
[M]+ 196.18216142 141.3
[M]- 196.18325858 141.3
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