CID 496417

Nsc688887

Structural Information

Molecular Formula
C6H8O4
SMILES
C=CC1C(OC(=O)O1)CO
InChI
InChI=1S/C6H8O4/c1-2-4-5(3-7)10-6(8)9-4/h2,4-5,7H,1,3H2
InChIKey
YAGSRLHRUHYMRM-UHFFFAOYSA-N
Compound name
4-ethenyl-5-(hydroxymethyl)-1,3-dioxolan-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
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 133.8
[M-H]- 143.03497 129.1
[M+NH4]+ 162.07607 145.4
[M+K]+ 183.00541 134.8
[M+H-H2O]+ 127.03951 121.4
[M+HCOO]- 189.04045 146.5
[M+CH3COO]- 203.05610 169.4
[M+Na-2H]- 165.01692 131.3
[M]+ 144.04170 126.5
[M]- 144.04280 126.5
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

No patent data available for this compound.