CID 10510878

4-(hydroxymethyl)-5-methyl-1,3-dioxol-2-one

Structural Information

Molecular Formula
C5H6O4
SMILES
CC1=C(OC(=O)O1)CO
InChI
InChI=1S/C5H6O4/c1-3-4(2-6)9-5(7)8-3/h6H,2H2,1H3
InChIKey
JEQSUJXHFAXJOW-UHFFFAOYSA-N
Compound name
4-(hydroxymethyl)-5-methyl-1,3-dioxol-2-one
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

0
References

1170
Patents

130.02661 Da
Monoisotopic Mass

-0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 131.03389 118.3
[M+Na]+ 153.01583 129.0
[M-H]- 129.01933 123.0
[M+NH4]+ 148.06043 139.3
[M+K]+ 168.98977 130.5
[M+H-H2O]+ 113.02387 114.4
[M+HCOO]- 175.02481 142.6
[M+CH3COO]- 189.04046 166.5
[M+Na-2H]- 151.00128 126.6
[M]+ 130.02606 122.7
[M]- 130.02716 122.7
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