CID 12602176

4-methoxy-2,2-dimethyl-4-oxobutanoic acid

Structural Information

Molecular Formula
C7H12O4
SMILES
CC(C)(CC(=O)OC)C(=O)O
InChI
InChI=1S/C7H12O4/c1-7(2,6(9)10)4-5(8)11-3/h4H2,1-3H3,(H,9,10)
InChIKey
MUXJXSWYXDORJN-UHFFFAOYSA-N
Compound name
4-methoxy-2,2-dimethyl-4-oxobutanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

169
Patents

160.07356 Da
Monoisotopic Mass

0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 161.080836 132.3
[M+Na]+ 183.062778 139.3
[M-H]- 159.066284 131.5
[M+NH4]+ 178.107383 152.5
[M+K]+ 199.036718 139.9
[M+H-H2O]+ 143.070820 128.4
[M+HCOO]- 205.071761 152.2
[M+CH3COO]- 219.087411 175.0
[M+Na-2H]- 181.048226 136.8
[M]+ 160.07301142 134.7
[M]- 160.07410858 134.7
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