CID 14271895

2-[2-(tert-butoxy)-2-oxoethoxy]acetic acid

Structural Information

Molecular Formula
C8H14O5
SMILES
CC(C)(C)OC(=O)COCC(=O)O
InChI
InChI=1S/C8H14O5/c1-8(2,3)13-7(11)5-12-4-6(9)10/h4-5H2,1-3H3,(H,9,10)
InChIKey
KFROMFPUCBQIKX-UHFFFAOYSA-N
Compound name
2-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethoxy]acetic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

9
Patents

190.08412 Da
Monoisotopic Mass

0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 191.091396 139.8
[M+Na]+ 213.073338 146.4
[M-H]- 189.076844 138.8
[M+NH4]+ 208.117943 158.8
[M+K]+ 229.047278 147.3
[M+H-H2O]+ 173.081380 135.5
[M+HCOO]- 235.082321 159.6
[M+CH3COO]- 249.097971 179.4
[M+Na-2H]- 211.058786 143.9
[M]+ 190.08357142 144.0
[M]- 190.08466858 144.0
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

patents stripe