CID 53863812

3-(tert-butoxy)-2-methoxy-3-oxopropanoic acid

Structural Information

Molecular Formula
C8H14O5
SMILES
CC(C)(C)OC(=O)C(C(=O)O)OC
InChI
InChI=1S/C8H14O5/c1-8(2,3)13-7(11)5(12-4)6(9)10/h5H,1-4H3,(H,9,10)
InChIKey
GYIFQIIXFNIGSW-UHFFFAOYSA-N
Compound name
2-methoxy-3-[(2-methylpropan-2-yl)oxy]-3-oxopropanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

16
Patents

190.08412 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 191.09140 139.2
[M+Na]+ 213.07334 145.5
[M-H]- 189.07684 138.3
[M+NH4]+ 208.11794 158.1
[M+K]+ 229.04728 147.0
[M+H-H2O]+ 173.08138 135.1
[M+HCOO]- 235.08232 158.0
[M+CH3COO]- 249.09797 180.4
[M+Na-2H]- 211.05879 142.1
[M]+ 190.08357 142.7
[M]- 190.08467 142.7
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