CID 156273

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

Structural Information

Molecular Formula
C8H16O2
SMILES
CCCCC1OCC(O1)C
InChI
InChI=1S/C8H16O2/c1-3-4-5-8-9-6-7(2)10-8/h7-8H,3-6H2,1-2H3
InChIKey
WTZJUXYVLRJTMQ-UHFFFAOYSA-N
Compound name
2-butyl-4-methyl-1,3-dioxolane
Related CIDs

2D Structure

compound 2d structure
4
Annotation Hits

0
References

76
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 131.7
[M+Na]+ 167.104258 138.4
[M-H]- 143.107764 136.1
[M+NH4]+ 162.148863 152.6
[M+K]+ 183.078198 140.2
[M+H-H2O]+ 127.112300 127.1
[M+HCOO]- 189.113241 152.9
[M+CH3COO]- 203.128891 174.4
[M+Na-2H]- 165.089706 137.5
[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