CID 125113159

5-(methoxycarbonyl)-4-methylfuran-2-carboxylic acid

Structural Information

Molecular Formula
C8H8O5
SMILES
CC1=C(OC(=C1)C(=O)O)C(=O)OC
InChI
InChI=1S/C8H8O5/c1-4-3-5(7(9)10)13-6(4)8(11)12-2/h3H,1-2H3,(H,9,10)
InChIKey
UQVLBURKHVKIJL-UHFFFAOYSA-N
Compound name
5-methoxycarbonyl-4-methylfuran-2-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

184.03717 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 185.04445 133.9
[M+Na]+ 207.02639 142.9
[M-H]- 183.02989 137.7
[M+NH4]+ 202.07099 153.7
[M+K]+ 223.00033 143.8
[M+H-H2O]+ 167.03443 129.3
[M+HCOO]- 229.03537 156.6
[M+CH3COO]- 243.05102 177.7
[M+Na-2H]- 205.01184 137.3
[M]+ 184.03662 138.1
[M]- 184.03772 138.1
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.