CID 17851702

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

Structural Information

Molecular Formula
C8H14O4
SMILES
CC(C(=O)O)C(=O)OC(C)(C)C
InChI
InChI=1S/C8H14O4/c1-5(6(9)10)7(11)12-8(2,3)4/h5H,1-4H3,(H,9,10)
InChIKey
IDARKWFFLKAWQP-UHFFFAOYSA-N
Compound name
2-methyl-3-[(2-methylpropan-2-yl)oxy]-3-oxopropanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

172
Patents

174.0892 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 175.096476 136.5
[M+Na]+ 197.078418 143.0
[M-H]- 173.081924 135.7
[M+NH4]+ 192.123023 156.2
[M+K]+ 213.052358 143.9
[M+H-H2O]+ 157.086460 132.7
[M+HCOO]- 219.087401 155.1
[M+CH3COO]- 233.103051 178.3
[M+Na-2H]- 195.063866 139.3
[M]+ 174.08865142 138.6
[M]- 174.08974858 138.6
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