CID 12586

1,3-dioxolane

Structural Information

Molecular Formula
C3H6O2
SMILES
C1COCO1
InChI
InChI=1S/C3H6O2/c1-2-5-3-4-1/h1-3H2
InChIKey
WNXJIVFYUVYPPR-UHFFFAOYSA-N
Compound name
1,3-dioxolane
Related CIDs

2D Structure

compound 2d structure
5
Annotation Hits

186
References

101027
Patents

74.03678 Da
Monoisotopic Mass

-0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 75.044056 109.6
[M+Na]+ 97.025998 120.3
[M+NH4]+ 92.070603 119.0
[M+K]+ 112.99994 117.8
[M-H]- 73.029504 113.5
[M+Na-2H]- 95.011446 114.6
[M]+ 74.036231 112.1
[M]- 74.037329 112.1
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