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
6
Annotation Hits

0
References

169
Patents

158.13068 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 159.137956 136.5
[M+Na]+ 181.119898 142.7
[M-H]- 157.123404 140.7
[M+NH4]+ 176.164503 156.8
[M+K]+ 197.093838 144.3
[M+H-H2O]+ 141.127940 131.7
[M+HCOO]- 203.128881 157.3
[M+CH3COO]- 217.144531 177.4
[M+Na-2H]- 179.105346 141.7
[M]+ 158.13013142 138.6
[M]- 158.13122858 138.6
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