CID 315161

Methyl 2-oxooxolane-3-carboxylate

Structural Information

Molecular Formula
C6H8O4
SMILES
COC(=O)C1CCOC1=O
InChI
InChI=1S/C6H8O4/c1-9-5(7)4-2-3-10-6(4)8/h4H,2-3H2,1H3
InChIKey
KBFOCDFPJBIMBD-UHFFFAOYSA-N
Compound name
methyl 2-oxooxolane-3-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

161
Patents

144.04225 Da
Monoisotopic Mass

0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 145.04953 125.3
[M+Na]+ 167.03147 133.0
[M-H]- 143.03497 129.6
[M+NH4]+ 162.07607 147.1
[M+K]+ 183.00541 134.6
[M+H-H2O]+ 127.03951 120.8
[M+HCOO]- 189.04045 148.0
[M+CH3COO]- 203.05610 170.7
[M+Na-2H]- 165.01692 130.2
[M]+ 144.04170 126.6
[M]- 144.04280 126.6
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