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]+ 171.13796 141.4
[M+Na]+ 193.11990 146.3
[M-H]- 169.12340 140.0
[M+NH4]+ 188.16450 161.0
[M+K]+ 209.09384 145.7
[M+H-H2O]+ 153.12794 136.9
[M+HCOO]- 215.12888 159.3
[M+CH3COO]- 229.14453 182.2
[M+Na-2H]- 191.10535 140.9
[M]+ 170.13013 141.2
[M]- 170.13123 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.