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
2
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]+ 145.122316 133.1
[M+Na]+ 167.104258 138.6
[M-H]- 143.107764 137.2
[M+NH4]+ 162.148863 153.6
[M+K]+ 183.078198 140.8
[M+H-H2O]+ 127.112300 128.3
[M+HCOO]- 189.113241 153.3
[M+CH3COO]- 203.128891 174.1
[M+Na-2H]- 165.089706 138.2
[M]+ 144.11449142 133.9
[M]- 144.11558858 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