CID 71437562

Dtxsid401213121

Structural Information

Molecular Formula
C11H18O4
SMILES
CCCC(=O)OCC1COC(O1)C=CC
InChI
InChI=1S/C11H18O4/c1-3-5-10(12)13-7-9-8-14-11(15-9)6-4-2/h4,6,9,11H,3,5,7-8H2,1-2H3
InChIKey
ICPQFQAABAQGLG-UHFFFAOYSA-N
Compound name
(2-prop-1-enyl-1,3-dioxolan-4-yl)methyl butanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

214.12051 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 215.127786 149.9
[M+Na]+ 237.109728 155.7
[M-H]- 213.113234 154.0
[M+NH4]+ 232.154333 167.8
[M+K]+ 253.083668 156.9
[M+H-H2O]+ 197.117770 144.7
[M+HCOO]- 259.118711 170.0
[M+CH3COO]- 273.134361 185.4
[M+Na-2H]- 235.095176 153.0
[M]+ 214.11996142 153.6
[M]- 214.12105858 153.6
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.