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]+ 141.05463 124.1
[M+Na]+ 163.03657 134.3
[M-H]- 139.04007 128.0
[M+NH4]+ 158.08117 146.3
[M+K]+ 179.01051 133.5
[M+H-H2O]+ 123.04461 120.4
[M+HCOO]- 185.04555 147.3
[M+CH3COO]- 199.06120 170.2
[M+Na-2H]- 161.02202 128.9
[M]+ 140.04680 125.3
[M]- 140.04790 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.