CID 12602168

2825005-06-7

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

23
Patents

202.12051 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 203.127786 144.6
[M+Na]+ 225.109728 150.9
[M-H]- 201.113234 143.7
[M+NH4]+ 220.154333 163.4
[M+K]+ 241.083668 151.3
[M+H-H2O]+ 185.117770 141.0
[M+HCOO]- 247.118711 162.0
[M+CH3COO]- 261.134361 183.8
[M+Na-2H]- 223.095176 148.7
[M]+ 202.11996142 147.6
[M]- 202.12105858 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