CID 6432881

Einecs 253-236-3

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

140.04735 Da
Monoisotopic Mass

0.9
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

No literature data available for this compound.

Patent stripe

No patent data available for this compound.