CID 15840278

(+)-4-hydroxy-2,6-dimethyl-7-octen-3-one

Structural Information

Molecular Formula
C10H18O2
SMILES
CC(C)C(=O)C(CC(C)C=C)O
InChI
InChI=1S/C10H18O2/c1-5-8(4)6-9(11)10(12)7(2)3/h5,7-9,11H,1,6H2,2-4H3
InChIKey
HMGXDXWZMSVPMW-UHFFFAOYSA-N
Compound name
4-hydroxy-2,6-dimethyloct-7-en-3-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

170.13068 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 171.137956 141.4
[M+Na]+ 193.119898 146.3
[M-H]- 169.123404 140.0
[M+NH4]+ 188.164503 161.0
[M+K]+ 209.093838 145.7
[M+H-H2O]+ 153.127940 136.9
[M+HCOO]- 215.128881 159.3
[M+CH3COO]- 229.144531 182.2
[M+Na-2H]- 191.105346 140.9
[M]+ 170.13013142 141.2
[M]- 170.13122858 141.2
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.