CID 5352451

3,7-dimethyl-1,5-octadien-3,7-diol

Structural Information

Molecular Formula
C10H18O2
SMILES
CC(C)(/C=C/CC(C)(C=C)O)O
InChI
InChI=1S/C10H18O2/c1-5-10(4,12)8-6-7-9(2,3)11/h5-7,11-12H,1,8H2,2-4H3/b7-6+
InChIKey
QEOHJVNDENHRCH-VOTSOKGWSA-N
Compound name
(3E)-2,6-dimethylocta-3,7-diene-2,6-diol
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

4
References

90
Patents

170.13068 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 171.13796 141.1
[M+Na]+ 193.11990 147.5
[M-H]- 169.12340 138.6
[M+NH4]+ 188.16450 160.6
[M+K]+ 209.09384 144.9
[M+H-H2O]+ 153.12794 137.9
[M+HCOO]- 215.12888 158.4
[M+CH3COO]- 229.14453 176.1
[M+Na-2H]- 191.10535 146.7
[M]+ 170.13013 140.6
[M]- 170.13123 140.6
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.