CID 318158

5584-69-0

Structural Information

Molecular Formula
C6H8O2
SMILES
CC1C=C(C(=O)O1)C
InChI
InChI=1S/C6H8O2/c1-4-3-5(2)8-6(4)7/h3,5H,1-2H3
InChIKey
SAXRUMLUKZBSTO-UHFFFAOYSA-N
Compound name
2,4-dimethyl-2H-furan-5-one
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

1
References

112
Patents

112.05243 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 113.05971 117.3
[M+Na]+ 135.04165 127.1
[M-H]- 111.04515 122.3
[M+NH4]+ 130.08625 141.1
[M+K]+ 151.01559 127.8
[M+H-H2O]+ 95.049690 113.4
[M+HCOO]- 157.05063 141.9
[M+CH3COO]- 171.06628 168.0
[M+Na-2H]- 133.02710 123.8
[M]+ 112.05188 119.0
[M]- 112.05298 119.0
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