CID 4728

5-hydroxy-4-methoxy-5-(1-methylethenyl)-2-furanone

Structural Information

Molecular Formula
C8H10O4
SMILES
CC(=C)C1(C(=CC(=O)O1)OC)O
InChI
InChI=1S/C8H10O4/c1-5(2)8(10)6(11-3)4-7(9)12-8/h4,10H,1H2,2-3H3
InChIKey
YCOFRPYSZKIPBQ-UHFFFAOYSA-N
Compound name
5-hydroxy-4-methoxy-5-prop-1-en-2-ylfuran-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

12
References

993
Patents

170.0579 Da
Monoisotopic Mass

0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 171.065176 130.6
[M+Na]+ 193.047118 139.9
[M-H]- 169.050624 134.3
[M+NH4]+ 188.091723 153.2
[M+K]+ 209.021058 140.1
[M+H-H2O]+ 153.055160 127.4
[M+HCOO]- 215.056101 152.7
[M+CH3COO]- 229.071751 175.2
[M+Na-2H]- 191.032566 135.8
[M]+ 170.05735142 133.1
[M]- 170.05844858 133.1
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