CID 86733

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

Structural Information

Molecular Formula
C8H16O2
SMILES
CC1COC(O1)CC(C)C
InChI
InChI=1S/C8H16O2/c1-6(2)4-8-9-5-7(3)10-8/h6-8H,4-5H2,1-3H3
InChIKey
PDVLTWPJDBXATJ-UHFFFAOYSA-N
Compound name
4-methyl-2-(2-methylpropyl)-1,3-dioxolane
Related CIDs

2D Structure

compound 2d structure
6
Annotation Hits

0
References

118
Patents

144.11504 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 145.122316 132.4
[M+Na]+ 167.104258 138.8
[M-H]- 143.107764 136.9
[M+NH4]+ 162.148863 153.2
[M+K]+ 183.078198 141.0
[M+H-H2O]+ 127.112300 127.9
[M+HCOO]- 189.113241 152.6
[M+CH3COO]- 203.128891 175.2
[M+Na-2H]- 165.089706 136.9
[M]+ 144.11449142 133.5
[M]- 144.11558858 133.5
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