CID 303530

2,5-dimethyl furan-2,5-dicarboxylate

Structural Information

Molecular Formula
C8H8O5
SMILES
COC(=O)C1=CC=C(O1)C(=O)OC
InChI
InChI=1S/C8H8O5/c1-11-7(9)5-3-4-6(13-5)8(10)12-2/h3-4H,1-2H3
InChIKey
UWQOPFRNDNVUOA-UHFFFAOYSA-N
Compound name
dimethyl furan-2,5-dicarboxylate
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

1286
Patents

184.03717 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 185.04445 134.2
[M+Na]+ 207.02639 142.8
[M-H]- 183.02989 139.1
[M+NH4]+ 202.07099 154.5
[M+K]+ 223.00033 144.6
[M+H-H2O]+ 167.03443 129.2
[M+HCOO]- 229.03537 158.4
[M+CH3COO]- 243.05102 178.4
[M+Na-2H]- 205.01184 138.7
[M]+ 184.03662 139.8
[M]- 184.03772 139.8
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