CID 165624754

4-(tert-butoxy)-2-methoxybutanoic acid

Structural Information

Molecular Formula
C9H18O4
SMILES
CC(C)(C)OCCC(C(=O)O)OC
InChI
InChI=1S/C9H18O4/c1-9(2,3)13-6-5-7(12-4)8(10)11/h7H,5-6H2,1-4H3,(H,10,11)
InChIKey
HREZXFLZQQLZLA-UHFFFAOYSA-N
Compound name
2-methoxy-4-[(2-methylpropan-2-yl)oxy]butanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

190.12051 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 191.127786 143.4
[M+Na]+ 213.109728 149.3
[M-H]- 189.113234 142.2
[M+NH4]+ 208.154333 162.5
[M+K]+ 229.083668 150.1
[M+H-H2O]+ 173.117770 139.1
[M+HCOO]- 235.118711 162.4
[M+CH3COO]- 249.134361 182.0
[M+Na-2H]- 211.095176 146.8
[M]+ 190.11996142 147.3
[M]- 190.12105858 147.3
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.