CID 94886

2-hexyl-4,5-dimethyl-1,3-dioxolane

Structural Information

Molecular Formula
C11H22O2
SMILES
CCCCCCC1OC(C(O1)C)C
InChI
InChI=1S/C11H22O2/c1-4-5-6-7-8-11-12-9(2)10(3)13-11/h9-11H,4-8H2,1-3H3
InChIKey
MTNLKAOONWIMIT-UHFFFAOYSA-N
Compound name
2-hexyl-4,5-dimethyl-1,3-dioxolane
Related CIDs

2D Structure

compound 2d structure
6
Annotation Hits

0
References

34
Patents

186.16199 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 187.169266 145.5
[M+Na]+ 209.151208 151.8
[M-H]- 185.154714 149.7
[M+NH4]+ 204.195813 165.0
[M+K]+ 225.125148 152.8
[M+H-H2O]+ 169.159250 140.6
[M+HCOO]- 231.160191 165.6
[M+CH3COO]- 245.175841 184.6
[M+Na-2H]- 207.136656 149.0
[M]+ 186.16144142 148.7
[M]- 186.16253858 148.7
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