CID 529400

1,3-dioxolane, 4-methyl-2-(1-methylpropyl)-

Structural Information

Molecular Formula
C8H16O2
SMILES
CCC(C)C1OCC(O1)C
InChI
InChI=1S/C8H16O2/c1-4-6(2)8-9-5-7(3)10-8/h6-8H,4-5H2,1-3H3
InChIKey
MQZVWFKZBQTGMS-UHFFFAOYSA-N
Compound name
2-butan-2-yl-4-methyl-1,3-dioxolane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

144.11504 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 145.12232 132.4
[M+Na]+ 167.10426 138.8
[M-H]- 143.10776 136.9
[M+NH4]+ 162.14886 153.2
[M+K]+ 183.07820 141.0
[M+H-H2O]+ 127.11230 127.9
[M+HCOO]- 189.11324 152.6
[M+CH3COO]- 203.12889 175.2
[M+Na-2H]- 165.08971 136.9
[M]+ 144.11449 133.5
[M]- 144.11559 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

No patent data available for this compound.