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
3
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]+ 267.231856 167.8
[M+Na]+ 289.213798 172.5
[M-H]- 265.217304 167.8
[M+NH4]+ 284.258403 185.6
[M+K]+ 305.187738 168.5
[M+H-H2O]+ 249.221840 163.4
[M+HCOO]- 311.222781 182.9
[M+CH3COO]- 325.238431 195.7
[M+Na-2H]- 287.199246 169.6
[M]+ 266.22403142 166.8
[M]- 266.22512858 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.