CID 14666564

57595-23-0

Structural Information

Molecular Formula
C6H8O4
SMILES
COC(=O)C1COCC1=O
InChI
InChI=1S/C6H8O4/c1-9-6(8)4-2-10-3-5(4)7/h4H,2-3H2,1H3
InChIKey
FCUDJBUBWCJOLK-UHFFFAOYSA-N
Compound name
methyl 4-oxooxolane-3-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

296
Patents

144.04225 Da
Monoisotopic Mass

-0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 145.049526 125.3
[M+Na]+ 167.031468 133.0
[M-H]- 143.034974 129.6
[M+NH4]+ 162.076073 147.1
[M+K]+ 183.005408 134.6
[M+H-H2O]+ 127.039510 120.8
[M+HCOO]- 189.040451 148.0
[M+CH3COO]- 203.056101 170.7
[M+Na-2H]- 165.016916 130.2
[M]+ 144.04170142 126.6
[M]- 144.04279858 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