CID 17755065

4-hydroxy-5-methyl-2-methylene-3(2h)-furanone

Structural Information

Molecular Formula
C6H6O3
SMILES
CC1=C(C(=O)C(=C)O1)O
InChI
InChI=1S/C6H6O3/c1-3-5(7)6(8)4(2)9-3/h8H,1H2,2H3
InChIKey
NPMQEIOINVDLMV-UHFFFAOYSA-N
Compound name
4-hydroxy-5-methyl-2-methylidenefuran-3-one
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

1
References

24
Patents

126.03169 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 127.03897 121.7
[M+Na]+ 149.02091 133.0
[M+NH4]+ 144.06551 129.3
[M+K]+ 164.99485 130.7
[M-H]- 125.02441 123.0
[M+Na-2H]- 147.00636 125.1
[M]+ 126.03114 123.4
[M]- 126.03224 123.4
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