CID 165344154

Dtxsid901150253

Structural Information

Molecular Formula
C16H26O
SMILES
CC1=CCC(CC1)(CO)C2CC=C(C2(C)C)C
InChI
InChI=1S/C16H26O/c1-12-7-9-16(11-17,10-8-12)14-6-5-13(2)15(14,3)4/h5,7,14,17H,6,8-11H2,1-4H3
InChIKey
XFHWUVKTAGCNKE-UHFFFAOYSA-N
Compound name
[4-methyl-1-(2,2,3-trimethylcyclopent-3-en-1-yl)cyclohex-3-en-1-yl]methanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

234.19836 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 235.205636 155.3
[M+Na]+ 257.187578 162.4
[M-H]- 233.191084 160.8
[M+NH4]+ 252.232183 178.9
[M+K]+ 273.161518 158.8
[M+H-H2O]+ 217.195620 150.8
[M+HCOO]- 279.196561 174.3
[M+CH3COO]- 293.212211 191.1
[M+Na-2H]- 255.173026 157.0
[M]+ 234.19781142 153.1
[M]- 234.19890858 153.1
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.