CID 10920542

2-hydroxy-5-methyl-3-hexanone

Structural Information

Molecular Formula
C7H14O2
SMILES
CC(C)CC(=O)C(C)O
InChI
InChI=1S/C7H14O2/c1-5(2)4-7(9)6(3)8/h5-6,8H,4H2,1-3H3
InChIKey
OYUBDGVWESFPBQ-UHFFFAOYSA-N
Compound name
2-hydroxy-5-methylhexan-3-one
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

208
Patents

130.09938 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 131.10666 129.2
[M+Na]+ 153.08860 138.1
[M+NH4]+ 148.13320 136.3
[M+K]+ 169.06254 134.6
[M-H]- 129.09210 127.3
[M+Na-2H]- 151.07405 131.3
[M]+ 130.09883 129.6
[M]- 130.09993 129.6
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