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]+ 235.20564 155.3
[M+Na]+ 257.18758 162.4
[M-H]- 233.19108 160.8
[M+NH4]+ 252.23218 178.9
[M+K]+ 273.16152 158.8
[M+H-H2O]+ 217.19562 150.8
[M+HCOO]- 279.19656 174.3
[M+CH3COO]- 293.21221 191.1
[M+Na-2H]- 255.17303 157.0
[M]+ 234.19781 153.1
[M]- 234.19891 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.