CID 100757429

2-(2-methoxy-2-oxoethyl)-4-methylfuran-3-carboxylic acid

Structural Information

Molecular Formula
C9H10O5
SMILES
CC1=COC(=C1C(=O)O)CC(=O)OC
InChI
InChI=1S/C9H10O5/c1-5-4-14-6(3-7(10)13-2)8(5)9(11)12/h4H,3H2,1-2H3,(H,11,12)
InChIKey
BDLGUWGWGIYLSO-UHFFFAOYSA-N
Compound name
2-(2-methoxy-2-oxoethyl)-4-methylfuran-3-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

198.05283 Da
Monoisotopic Mass

0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 199.060106 138.7
[M+Na]+ 221.042048 147.3
[M-H]- 197.045554 142.4
[M+NH4]+ 216.086653 158.0
[M+K]+ 237.015988 147.9
[M+H-H2O]+ 181.050090 133.9
[M+HCOO]- 243.051031 161.1
[M+CH3COO]- 257.066681 180.7
[M+Na-2H]- 219.027496 141.6
[M]+ 198.05228142 143.3
[M]- 198.05337858 143.3
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

No patent data available for this compound.