CID 33931

27538-10-9

Structural Information

Molecular Formula
C7H10O3
SMILES
CCC1C(=O)C(=C(O1)C)O
InChI
InChI=1S/C7H10O3/c1-3-5-7(9)6(8)4(2)10-5/h5,8H,3H2,1-2H3
InChIKey
GWCRPYGYVRXVLI-UHFFFAOYSA-N
Compound name
2-ethyl-4-hydroxy-5-methylfuran-3-one
Related CIDs

2D Structure

compound 2d structure
7
Annotation Hits

13
References

3076
Patents

142.06299 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 143.07027 125.3
[M+Na]+ 165.05221 135.1
[M-H]- 141.05571 129.1
[M+NH4]+ 160.09681 147.4
[M+K]+ 181.02615 135.0
[M+H-H2O]+ 125.06025 121.5
[M+HCOO]- 187.06119 148.2
[M+CH3COO]- 201.07684 171.7
[M+Na-2H]- 163.03766 130.1
[M]+ 142.06244 127.3
[M]- 142.06354 127.3
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