CID 102462

2,5,5-trimethyl-1,3,4,6,7,8-hexahydronaphthalen-2-ol

Structural Information

Molecular Formula
C13H22O
SMILES
CC1(CCCC2=C1CCC(C2)(C)O)C
InChI
InChI=1S/C13H22O/c1-12(2)7-4-5-10-9-13(3,14)8-6-11(10)12/h14H,4-9H2,1-3H3
InChIKey
BGWAANSABVGTHL-UHFFFAOYSA-N
Compound name
2,5,5-trimethyl-1,3,4,6,7,8-hexahydronaphthalen-2-ol
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

85
Patents

194.16707 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 195.17435 145.6
[M+Na]+ 217.15629 152.1
[M-H]- 193.15979 148.4
[M+NH4]+ 212.20089 169.7
[M+K]+ 233.13023 149.3
[M+H-H2O]+ 177.16433 141.1
[M+HCOO]- 239.16527 161.6
[M+CH3COO]- 253.18092 183.2
[M+Na-2H]- 215.14174 151.1
[M]+ 194.16652 140.9
[M]- 194.16762 140.9
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