CID 70307

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

Structural Information

Molecular Formula
C10H20O2
SMILES
CCCCCCC1(OCCO1)C
InChI
InChI=1S/C10H20O2/c1-3-4-5-6-7-10(2)11-8-9-12-10/h3-9H2,1-2H3
InChIKey
HTSKVUFGMXXBAG-UHFFFAOYSA-N
Compound name
2-hexyl-2-methyl-1,3-dioxolane
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

24
Patents

172.14633 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 173.153606 139.7
[M+Na]+ 195.135548 145.5
[M-H]- 171.139054 143.7
[M+NH4]+ 190.180153 161.2
[M+K]+ 211.109488 147.0
[M+H-H2O]+ 155.143590 135.4
[M+HCOO]- 217.144531 160.3
[M+CH3COO]- 231.160181 178.9
[M+Na-2H]- 193.120996 146.3
[M]+ 172.14578142 142.2
[M]- 172.14687858 142.2
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe