CID 71379147

6-hydroxy-2,6-dimethylocta-2,7-dien-4-one

Structural Information

Molecular Formula
C10H16O2
SMILES
CC(=CC(=O)CC(C)(C=C)O)C
InChI
InChI=1S/C10H16O2/c1-5-10(4,12)7-9(11)6-8(2)3/h5-6,12H,1,7H2,2-4H3
InChIKey
ILDAKDTXKZPGJC-UHFFFAOYSA-N
Compound name
6-hydroxy-2,6-dimethylocta-2,7-dien-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

168.11504 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 169.12232 138.7
[M+Na]+ 191.10426 145.0
[M-H]- 167.10776 137.6
[M+NH4]+ 186.14886 158.7
[M+K]+ 207.07820 143.2
[M+H-H2O]+ 151.11230 134.9
[M+HCOO]- 213.11324 157.4
[M+CH3COO]- 227.12889 179.0
[M+Na-2H]- 189.08971 141.6
[M]+ 168.11449 138.6
[M]- 168.11559 138.6
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