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
1
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]+ 187.16927 146.0
[M+Na]+ 209.15121 150.8
[M-H]- 185.15471 150.0
[M+NH4]+ 204.19581 165.1
[M+K]+ 225.12515 152.7
[M+H-H2O]+ 169.15925 141.5
[M+HCOO]- 231.16019 163.7
[M+CH3COO]- 245.17584 182.9
[M+Na-2H]- 207.13666 150.5
[M]+ 186.16144 147.4
[M]- 186.16254 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.