CID 521146

2-butyl-1,3-dioxolane

Structural Information

Molecular Formula
C7H14O2
SMILES
CCCCC1OCCO1
InChI
InChI=1S/C7H14O2/c1-2-3-4-7-8-5-6-9-7/h7H,2-6H2,1H3
InChIKey
KODJTPVSRWYRDF-UHFFFAOYSA-N
Compound name
2-butyl-1,3-dioxolane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

266
Patents

130.09938 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 131.10666 127.4
[M+Na]+ 153.08860 133.5
[M-H]- 129.09210 131.6
[M+NH4]+ 148.13320 148.5
[M+K]+ 169.06254 135.6
[M+H-H2O]+ 113.09664 122.7
[M+HCOO]- 175.09758 148.9
[M+CH3COO]- 189.11323 170.2
[M+Na-2H]- 151.07405 134.4
[M]+ 130.09883 128.4
[M]- 130.09993 128.5
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe