CID 3565903

2-(2,4,4-trimethylpentyl)-1,3-dioxolane

Structural Information

Molecular Formula
C11H22O2
SMILES
CC(CC1OCCO1)CC(C)(C)C
InChI
InChI=1S/C11H22O2/c1-9(8-11(2,3)4)7-10-12-5-6-13-10/h9-10H,5-8H2,1-4H3
InChIKey
AUTULYGUYGPRMN-UHFFFAOYSA-N
Compound name
2-(2,4,4-trimethylpentyl)-1,3-dioxolane
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

186.16199 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 187.169266 146.0
[M+Na]+ 209.151208 150.8
[M-H]- 185.154714 150.0
[M+NH4]+ 204.195813 165.1
[M+K]+ 225.125148 152.7
[M+H-H2O]+ 169.159250 141.5
[M+HCOO]- 231.160191 163.7
[M+CH3COO]- 245.175841 182.9
[M+Na-2H]- 207.136656 150.5
[M]+ 186.16144142 147.4
[M]- 186.16253858 147.4
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

No patent data available for this compound.