CID 4193918

Methyl 5-(methoxymethyl)furan-2-carboxylate

Structural Information

Molecular Formula
C8H10O4
SMILES
COCC1=CC=C(O1)C(=O)OC
InChI
InChI=1S/C8H10O4/c1-10-5-6-3-4-7(12-6)8(9)11-2/h3-4H,5H2,1-2H3
InChIKey
GXYHQVZORYVUOP-UHFFFAOYSA-N
Compound name
methyl 5-(methoxymethyl)furan-2-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

81
Patents

170.0579 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 171.065176 132.4
[M+Na]+ 193.047118 141.1
[M-H]- 169.050624 137.1
[M+NH4]+ 188.091723 153.5
[M+K]+ 209.021058 142.4
[M+H-H2O]+ 153.055160 127.4
[M+HCOO]- 215.056101 157.2
[M+CH3COO]- 229.071751 176.9
[M+Na-2H]- 191.032566 138.1
[M]+ 170.05735142 138.0
[M]- 170.05844858 138.0
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