CID 2723832

62435-72-7

Structural Information

Molecular Formula
C8H12O5
SMILES
COC1C=CC(O1)(C(=O)OC)OC
InChI
InChI=1S/C8H12O5/c1-10-6-4-5-8(12-3,13-6)7(9)11-2/h4-6H,1-3H3
InChIKey
GHVXSSBZJZUDSO-UHFFFAOYSA-N
Compound name
methyl 2,5-dimethoxy-2H-furan-5-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

25
Patents

188.06847 Da
Monoisotopic Mass

0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 189.07575 135.0
[M+Na]+ 211.05769 143.5
[M-H]- 187.06119 139.7
[M+NH4]+ 206.10229 157.3
[M+K]+ 227.03163 145.8
[M+H-H2O]+ 171.06573 131.0
[M+HCOO]- 233.06667 158.6
[M+CH3COO]- 247.08232 178.9
[M+Na-2H]- 209.04314 141.4
[M]+ 188.06792 141.1
[M]- 188.06902 141.1
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