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]+ 191.12779 143.4
[M+Na]+ 213.10973 149.3
[M-H]- 189.11323 142.2
[M+NH4]+ 208.15433 162.5
[M+K]+ 229.08367 150.1
[M+H-H2O]+ 173.11777 139.1
[M+HCOO]- 235.11871 162.4
[M+CH3COO]- 249.13436 182.0
[M+Na-2H]- 211.09518 146.8
[M]+ 190.11996 147.3
[M]- 190.12106 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.