CID 29909

5,5-dimethyl-2(5h)-furanone

Structural Information

Molecular Formula
C6H8O2
SMILES
CC1(C=CC(=O)O1)C
InChI
InChI=1S/C6H8O2/c1-6(2)4-3-5(7)8-6/h3-4H,1-2H3
InChIKey
YNKQMZRTPPVLLL-UHFFFAOYSA-N
Compound name
5,5-dimethylfuran-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

175
Patents

112.05243 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 113.05971 116.4
[M+Na]+ 135.04165 126.2
[M-H]- 111.04515 121.5
[M+NH4]+ 130.08625 142.0
[M+K]+ 151.01559 127.1
[M+H-H2O]+ 95.049690 113.2
[M+HCOO]- 157.05063 141.1
[M+CH3COO]- 171.06628 166.5
[M+Na-2H]- 133.02710 124.8
[M]+ 112.05188 118.0
[M]- 112.05298 118.0
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