CID 25243895

(2e)-2-ethylidene-4-hydroxy-5-methylfuran-3(2h)-one

Structural Information

Molecular Formula
C7H8O3
SMILES
C/C=C/1\C(=O)C(=C(O1)C)O
InChI
InChI=1S/C7H8O3/c1-3-5-7(9)6(8)4(2)10-5/h3,8H,1-2H3/b5-3+
InChIKey
CWXWDRXNERDGHE-HWKANZROSA-N
Compound name
(2E)-2-ethylidene-4-hydroxy-5-methylfuran-3-one
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

1
References

2
Patents

140.04735 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 141.054626 124.1
[M+Na]+ 163.036568 134.3
[M-H]- 139.040074 128.0
[M+NH4]+ 158.081173 146.3
[M+K]+ 179.010508 133.5
[M+H-H2O]+ 123.044610 120.4
[M+HCOO]- 185.045551 147.3
[M+CH3COO]- 199.061201 170.2
[M+Na-2H]- 161.022016 128.9
[M]+ 140.04680142 125.3
[M]- 140.04789858 125.3
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