CID 45090037

98136-12-0

Structural Information

Molecular Formula
C6H8O4
SMILES
COC(=O)C1CC(=O)CO1
InChI
InChI=1S/C6H8O4/c1-9-6(8)5-2-4(7)3-10-5/h5H,2-3H2,1H3
InChIKey
WUHVSNZGUSYYOW-UHFFFAOYSA-N
Compound name
methyl 4-oxooxolane-2-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

53
Patents

144.04225 Da
Monoisotopic Mass

-0.4
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

No literature data available for this compound.

Patent stripe

patents stripe