CID 151690

3-methyl-5-methylidene-2,5-dihydrofuran-2-one

Structural Information

Molecular Formula
C6H6O2
SMILES
CC1=CC(=C)OC1=O
InChI
InChI=1S/C6H6O2/c1-4-3-5(2)8-6(4)7/h3H,2H2,1H3
InChIKey
JTOAPCOQJLEHPT-UHFFFAOYSA-N
Compound name
3-methyl-5-methylidenefuran-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

25
Patents

110.03678 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 111.04406 115.9
[M+Na]+ 133.02600 126.0
[M-H]- 109.02950 121.0
[M+NH4]+ 128.07060 139.7
[M+K]+ 148.99994 126.0
[M+H-H2O]+ 93.034040 112.0
[M+HCOO]- 155.03498 140.7
[M+CH3COO]- 169.05063 167.1
[M+Na-2H]- 131.01145 122.4
[M]+ 110.03623 116.9
[M]- 110.03733 116.9
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