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
6
Annotation Hits

186
References

140609
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 108.7
[M+Na]+ 97.025998 115.5
[M-H]- 73.029504 113.1
[M+NH4]+ 92.070603 131.6
[M+K]+ 112.99994 118.7
[M+H-H2O]+ 57.034040 104.5
[M+HCOO]- 119.03498 131.5
[M+CH3COO]- 133.05063 157.0
[M+Na-2H]- 95.011446 118.5
[M]+ 74.036231 107.8
[M]- 74.037329 107.8
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