CID 3023576

Dtxsid40920394

Structural Information

Molecular Formula
C17H30O2
SMILES
CCC(CCC1C(=CCCC1(C)C)C)(C=CCO)O
InChI
InChI=1S/C17H30O2/c1-5-17(19,11-7-13-18)12-9-15-14(2)8-6-10-16(15,3)4/h7-8,11,15,18-19H,5-6,9-10,12-13H2,1-4H3
InChIKey
VGKUDTFPDSFCFQ-UHFFFAOYSA-N
Compound name
4-ethyl-6-(2,6,6-trimethylcyclohex-2-en-1-yl)hex-2-ene-1,4-diol
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

266.22458 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 267.23186 167.8
[M+Na]+ 289.21380 172.5
[M-H]- 265.21730 167.8
[M+NH4]+ 284.25840 185.6
[M+K]+ 305.18774 168.5
[M+H-H2O]+ 249.22184 163.4
[M+HCOO]- 311.22278 182.9
[M+CH3COO]- 325.23843 195.7
[M+Na-2H]- 287.19925 169.6
[M]+ 266.22403 166.8
[M]- 266.22513 166.8
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.