CID 11970497

40533-68-4

Structural Information

Molecular Formula
C11H20O5
SMILES
CCCC(=O)OCC1COC(O1)(C)C(C)O
InChI
InChI=1S/C11H20O5/c1-4-5-10(13)14-6-9-7-15-11(3,16-9)8(2)12/h8-9,12H,4-7H2,1-3H3
InChIKey
LYNCVFJUAUWEAM-UHFFFAOYSA-N
Compound name
[2-(1-hydroxyethyl)-2-methyl-1,3-dioxolan-4-yl]methyl butanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

232.13107 Da
Monoisotopic Mass

0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 233.138346 152.7
[M+Na]+ 255.120288 158.2
[M-H]- 231.123794 155.7
[M+NH4]+ 250.164893 171.0
[M+K]+ 271.094228 160.3
[M+H-H2O]+ 215.128330 148.7
[M+HCOO]- 277.129271 170.2
[M+CH3COO]- 291.144921 186.9
[M+Na-2H]- 253.105736 155.6
[M]+ 232.13052142 156.4
[M]- 232.13161858 156.4
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.