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

188
Patents

174.0892 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 175.09648 136.5
[M+Na]+ 197.07842 143.0
[M-H]- 173.08192 135.7
[M+NH4]+ 192.12302 156.2
[M+K]+ 213.05236 143.9
[M+H-H2O]+ 157.08646 132.7
[M+HCOO]- 219.08740 155.1
[M+CH3COO]- 233.10305 178.3
[M+Na-2H]- 195.06387 139.3
[M]+ 174.08865 138.6
[M]- 174.08975 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