CID 241025

4-hydroxy-6-methyloxan-2-one

Structural Information

Molecular Formula
C6H10O3
SMILES
CC1CC(CC(=O)O1)O
InChI
InChI=1S/C6H10O3/c1-4-2-5(7)3-6(8)9-4/h4-5,7H,2-3H2,1H3
InChIKey
KKZQBMBBMJKIRQ-UHFFFAOYSA-N
Compound name
4-hydroxy-6-methyloxan-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

3
References

38
Patents

130.06299 Da
Monoisotopic Mass

0.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 131.07027 123.9
[M+Na]+ 153.05221 134.9
[M+NH4]+ 148.09681 132.0
[M+K]+ 169.02615 130.6
[M-H]- 129.05571 126.0
[M+Na-2H]- 151.03766 127.8
[M]+ 130.06244 125.8
[M]- 130.06354 125.8
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