CID 11094630

3-methoxyfuran-2,5-dione

Structural Information

Molecular Formula
C5H4O4
SMILES
COC1=CC(=O)OC1=O
InChI
InChI=1S/C5H4O4/c1-8-3-2-4(6)9-5(3)7/h2H,1H3
InChIKey
JBTJZGIYWMHQLX-UHFFFAOYSA-N
Compound name
3-methoxyfuran-2,5-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

88
Patents

128.01096 Da
Monoisotopic Mass

0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 129.01824 116.8
[M+Na]+ 151.00018 127.2
[M-H]- 127.00368 122.0
[M+NH4]+ 146.04478 139.8
[M+K]+ 166.97412 128.4
[M+H-H2O]+ 111.00822 112.8
[M+HCOO]- 173.00916 142.4
[M+CH3COO]- 187.02481 168.3
[M+Na-2H]- 148.98563 124.0
[M]+ 128.01041 120.4
[M]- 128.01151 120.4
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