CID 97944

Glycerol 1,2-carbonate

Structural Information

Molecular Formula
C4H6O4
SMILES
C1C(OC(=O)O1)CO
InChI
InChI=1S/C4H6O4/c5-1-3-2-7-4(6)8-3/h3,5H,1-2H2
InChIKey
JFMGYULNQJPJCY-UHFFFAOYSA-N
Compound name
4-(hydroxymethyl)-1,3-dioxolan-2-one
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

11161
Patents

118.02661 Da
Monoisotopic Mass

-1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 119.03389 117.6
[M+Na]+ 141.01583 125.7
[M-H]- 117.01933 121.3
[M+NH4]+ 136.06043 138.5
[M+K]+ 156.98977 127.8
[M+H-H2O]+ 101.02387 113.6
[M+HCOO]- 163.02481 139.3
[M+CH3COO]- 177.04046 162.9
[M+Na-2H]- 139.00128 125.2
[M]+ 118.02606 118.3
[M]- 118.02716 118.3
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