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

29
Patents

190.08412 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 191.091396 139.2
[M+Na]+ 213.073338 145.5
[M-H]- 189.076844 138.3
[M+NH4]+ 208.117943 158.1
[M+K]+ 229.047278 147.0
[M+H-H2O]+ 173.081380 135.1
[M+HCOO]- 235.082321 158.0
[M+CH3COO]- 249.097971 180.4
[M+Na-2H]- 211.058786 142.1
[M]+ 190.08357142 142.7
[M]- 190.08466858 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