CID 15336

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

Structural Information

Molecular Formula
C9H18O2
SMILES
CCCCCC1OCC(O1)C
InChI
InChI=1S/C9H18O2/c1-3-4-5-6-9-10-7-8(2)11-9/h8-9H,3-7H2,1-2H3
InChIKey
GWMSIWCZZKMUQM-UHFFFAOYSA-N
Compound name
4-methyl-2-pentyl-1,3-dioxolane
Related CIDs

2D Structure

compound 2d structure
5
Annotation Hits

0
References

165
Patents

158.13068 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 159.13796 135.3
[M+Na]+ 181.11990 145.6
[M+NH4]+ 176.16450 143.8
[M+K]+ 197.09384 142.0
[M-H]- 157.12340 139.1
[M+Na-2H]- 179.10535 138.3
[M]+ 158.13013 137.7
[M]- 158.13123 137.7
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

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