CID 15039565

4-methoxy-3,3-dimethyl-4-oxobutanoic acid

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

0
References

177
Patents

160.07356 Da
Monoisotopic Mass

0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 161.08084 132.3
[M+Na]+ 183.06278 139.3
[M-H]- 159.06628 131.5
[M+NH4]+ 178.10738 152.5
[M+K]+ 199.03672 139.9
[M+H-H2O]+ 143.07082 128.4
[M+HCOO]- 205.07176 152.2
[M+CH3COO]- 219.08741 175.0
[M+Na-2H]- 181.04823 136.8
[M]+ 160.07301 134.7
[M]- 160.07411 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