CID 3022559

Ns00125897

Structural Information

Molecular Formula
C13H22O
SMILES
CC1(CCCC2=C1CCC(C2)CO)C
InChI
InChI=1S/C13H22O/c1-13(2)7-3-4-11-8-10(9-14)5-6-12(11)13/h10,14H,3-9H2,1-2H3
InChIKey
VATBSXZGHZDFOH-UHFFFAOYSA-N
Compound name
(5,5-dimethyl-2,3,4,6,7,8-hexahydro-1H-naphthalen-2-yl)methanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

194.16707 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 195.174346 146.2
[M+Na]+ 217.156288 151.7
[M-H]- 193.159794 148.6
[M+NH4]+ 212.200893 168.3
[M+K]+ 233.130228 148.6
[M+H-H2O]+ 177.164330 141.1
[M+HCOO]- 239.165271 162.2
[M+CH3COO]- 253.180921 183.5
[M+Na-2H]- 215.141736 150.6
[M]+ 194.16652142 141.1
[M]- 194.16761858 141.1
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

No patent data available for this compound.