CID 303530

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

1224
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 135.8
[M+Na]+ 207.02639 145.8
[M+NH4]+ 202.07099 142.1
[M+K]+ 223.00033 144.8
[M-H]- 183.02989 136.2
[M+Na-2H]- 205.01184 139.0
[M]+ 184.03662 137.0
[M]- 184.03772 137.0
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