CID 112042

5-methoxyfuran-2(5h)-one

Structural Information

Molecular Formula
C5H6O3
SMILES
COC1C=CC(=O)O1
InChI
InChI=1S/C5H6O3/c1-7-5-3-2-4(6)8-5/h2-3,5H,1H3
InChIKey
LRHFWTSUYLXTPU-UHFFFAOYSA-N
Compound name
2-methoxy-2H-furan-5-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

429
Patents

114.03169 Da
Monoisotopic Mass

0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 115.03897 116.3
[M+Na]+ 137.02091 125.5
[M-H]- 113.02441 121.1
[M+NH4]+ 132.06551 139.7
[M+K]+ 152.99485 126.9
[M+H-H2O]+ 97.028950 112.0
[M+HCOO]- 159.02989 141.5
[M+CH3COO]- 173.04554 165.9
[M+Na-2H]- 135.00636 124.0
[M]+ 114.03114 118.7
[M]- 114.03224 118.7
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