CID 86517

1,3-dioxolane, 2-(1-methylbutyl)-

Structural Information

Molecular Formula
C8H16O2
SMILES
CCCC(C)C1OCCO1
InChI
InChI=1S/C8H16O2/c1-3-4-7(2)8-9-5-6-10-8/h7-8H,3-6H2,1-2H3
InChIKey
QSGQDHBXWPACTQ-UHFFFAOYSA-N
Compound name
2-pentan-2-yl-1,3-dioxolane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

5
Patents

144.11504 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 145.12232 133.1
[M+Na]+ 167.10426 138.6
[M-H]- 143.10776 137.2
[M+NH4]+ 162.14886 153.6
[M+K]+ 183.07820 140.8
[M+H-H2O]+ 127.11230 128.3
[M+HCOO]- 189.11324 153.3
[M+CH3COO]- 203.12889 174.1
[M+Na-2H]- 165.08971 138.2
[M]+ 144.11449 133.9
[M]- 144.11559 133.9
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