CID 98218

4-methyl-2-propyl-1,3-dioxolane

Structural Information

Molecular Formula
C7H14O2
SMILES
CCCC1OCC(O1)C
InChI
InChI=1S/C7H14O2/c1-3-4-7-8-5-6(2)9-7/h6-7H,3-5H2,1-2H3
InChIKey
WRTYJFJOOTWPJP-UHFFFAOYSA-N
Compound name
4-methyl-2-propyl-1,3-dioxolane
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

1
References

37
Patents

130.09938 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 131.10666 126.2
[M+Na]+ 153.08860 137.0
[M+NH4]+ 148.13320 135.0
[M+K]+ 169.06254 133.9
[M-H]- 129.09210 130.1
[M+Na-2H]- 151.07405 129.8
[M]+ 130.09883 128.8
[M]- 130.09993 128.8
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