CID 106813

Ebanol

Structural Information

Molecular Formula
C14H24O
SMILES
CC1=CCC(C1(C)C)C=CC(C)C(C)O
InChI
InChI=1S/C14H24O/c1-10(12(3)15)6-8-13-9-7-11(2)14(13,4)5/h6-8,10,12-13,15H,9H2,1-5H3
InChIKey
RNLHVODSMDJCBR-UHFFFAOYSA-N
Compound name
3-methyl-5-(2,2,3-trimethylcyclopent-3-en-1-yl)pent-4-en-2-ol
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

1
References

1806
Patents

208.18271 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 209.18999 152.7
[M+Na]+ 231.17193 161.9
[M+NH4]+ 226.21653 161.8
[M+K]+ 247.14587 156.2
[M-H]- 207.17543 153.2
[M+Na-2H]- 229.15738 156.6
[M]+ 208.18216 154.1
[M]- 208.18326 154.1
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe