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]+ 197.18999 147.5
[M+Na]+ 219.17193 152.9
[M-H]- 195.17543 149.9
[M+NH4]+ 214.21653 171.4
[M+K]+ 235.14587 150.3
[M+H-H2O]+ 179.17997 143.0
[M+HCOO]- 241.18091 161.9
[M+CH3COO]- 255.19656 183.6
[M+Na-2H]- 217.15738 152.0
[M]+ 196.18216 141.3
[M]- 196.18326 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