CID 12602168

Lithium(1+)4-(tert-butoxy)-2,2-dimethyl-4-oxobutanoate

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

0
References

27
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 144.6
[M+Na]+ 225.10973 150.9
[M-H]- 201.11323 143.7
[M+NH4]+ 220.15433 163.4
[M+K]+ 241.08367 151.3
[M+H-H2O]+ 185.11777 141.0
[M+HCOO]- 247.11871 162.0
[M+CH3COO]- 261.13436 183.8
[M+Na-2H]- 223.09518 148.7
[M]+ 202.11996 147.6
[M]- 202.12106 147.6
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