CID 179832

2-propyl-1,3-dioxolane

Structural Information

Molecular Formula
C6H12O2
SMILES
CCCC1OCCO1
InChI
InChI=1S/C6H12O2/c1-2-3-6-7-4-5-8-6/h6H,2-5H2,1H3
InChIKey
JSDUOUVZQRZOOY-UHFFFAOYSA-N
Compound name
2-propyl-1,3-dioxolane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

577
Patents

116.08373 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 117.09101 122.4
[M+Na]+ 139.07295 132.9
[M+NH4]+ 134.11755 131.3
[M+K]+ 155.04689 129.9
[M-H]- 115.07645 126.2
[M+Na-2H]- 137.05840 126.4
[M]+ 116.08318 124.8
[M]- 116.08428 124.8
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