CID 95007

2-butoxy-2-oxoethyl butyrate

Structural Information

Molecular Formula
C10H18O4
SMILES
CCCCOC(=O)COC(=O)CCC
InChI
InChI=1S/C10H18O4/c1-3-5-7-13-10(12)8-14-9(11)6-4-2/h3-8H2,1-2H3
InChIKey
HPIYZRUOQOGMEY-UHFFFAOYSA-N
Compound name
(2-butoxy-2-oxoethyl) butanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

202.12051 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 203.12779 146.8
[M+Na]+ 225.10973 155.1
[M+NH4]+ 220.15433 152.4
[M+K]+ 241.08367 150.7
[M-H]- 201.11323 144.2
[M+Na-2H]- 223.09518 148.1
[M]+ 202.11996 146.8
[M]- 202.12106 146.8
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.