CID 11984038

Methyl 3-oxotetrahydrofuran-2-carboxylate

Structural Information

Molecular Formula
C6H8O4
SMILES
COC(=O)C1C(=O)CCO1
InChI
InChI=1S/C6H8O4/c1-9-6(8)5-4(7)2-3-10-5/h5H,2-3H2,1H3
InChIKey
QAYHTXVTPGDAJH-UHFFFAOYSA-N
Compound name
methyl 3-oxooxolane-2-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

10
Patents

144.04225 Da
Monoisotopic Mass

-0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 145.04953 127.3
[M+Na]+ 167.03147 136.6
[M+NH4]+ 162.07607 134.5
[M+K]+ 183.00541 135.1
[M-H]- 143.03497 128.0
[M+Na-2H]- 165.01692 129.9
[M]+ 144.04170 128.4
[M]- 144.04280 128.4
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