CID 23555177

4-(tert-butoxy)-3,3-dimethyl-4-oxobutanoic acid

Structural Information

Molecular Formula
C10H18O4
SMILES
CC(C)(C)OC(=O)C(C)(C)CC(=O)O
InChI
InChI=1S/C10H18O4/c1-9(2,3)14-8(13)10(4,5)6-7(11)12/h6H2,1-5H3,(H,11,12)
InChIKey
HJPDRTSDGCUAIO-UHFFFAOYSA-N
Compound name
3,3-dimethyl-4-[(2-methylpropan-2-yl)oxy]-4-oxobutanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

136
Patents

202.12051 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 203.12779 146.0
[M+Na]+ 225.10973 153.1
[M+NH4]+ 220.15433 150.8
[M+K]+ 241.08367 151.7
[M-H]- 201.11323 141.6
[M+Na-2H]- 223.09518 146.6
[M]+ 202.11996 145.4
[M]- 202.12106 145.4
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

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