CID 53426546

4-acetyl-2,5-dimethylfuran-3(2h)-one

Structural Information

Molecular Formula
C8H10O3
SMILES
CC1C(=O)C(=C(O1)C)C(=O)C
InChI
InChI=1S/C8H10O3/c1-4(9)7-5(2)11-6(3)8(7)10/h6H,1-3H3
InChIKey
PAQLUNHARDKSPD-UHFFFAOYSA-N
Compound name
4-acetyl-2,5-dimethylfuran-3-one
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

0
References

63
Patents

154.06299 Da
Monoisotopic Mass

0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 155.07027 127.6
[M+Na]+ 177.05221 137.5
[M-H]- 153.05571 132.8
[M+NH4]+ 172.09681 149.9
[M+K]+ 193.02615 137.9
[M+H-H2O]+ 137.06025 123.6
[M+HCOO]- 199.06119 151.0
[M+CH3COO]- 213.07684 177.4
[M+Na-2H]- 175.03766 131.2
[M]+ 154.06244 130.6
[M]- 154.06354 130.6
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

patents stripe