CID 20357

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

Structural Information

Molecular Formula
C10H20O2
SMILES
CCCCCCC1OCC(O1)C
InChI
InChI=1S/C10H20O2/c1-3-4-5-6-7-10-11-8-9(2)12-10/h9-10H,3-8H2,1-2H3
InChIKey
GFNFPBSXMBRHRU-UHFFFAOYSA-N
Compound name
2-hexyl-4-methyl-1,3-dioxolane
Related CIDs

2D Structure

compound 2d structure
6
Annotation Hits

0
References

171
Patents

172.14633 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 173.153606 141.3
[M+Na]+ 195.135548 147.1
[M-H]- 171.139054 145.3
[M+NH4]+ 190.180153 161.0
[M+K]+ 211.109488 148.3
[M+H-H2O]+ 155.143590 136.3
[M+HCOO]- 217.144531 161.8
[M+CH3COO]- 231.160181 180.4
[M+Na-2H]- 193.120996 145.9
[M]+ 172.14578142 143.8
[M]- 172.14687858 143.8
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