CID 4563901

4-methoxy-2-methyl-4-oxobutanoic acid

Structural Information

Molecular Formula
C6H10O4
SMILES
CC(CC(=O)OC)C(=O)O
InChI
InChI=1S/C6H10O4/c1-4(6(8)9)3-5(7)10-2/h4H,3H2,1-2H3,(H,8,9)
InChIKey
UVQYBUYGFBXQGO-UHFFFAOYSA-N
Compound name
4-methoxy-2-methyl-4-oxobutanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

418
Patents

146.0579 Da
Monoisotopic Mass

0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 147.065176 128.7
[M+Na]+ 169.047118 135.4
[M-H]- 145.050624 127.8
[M+NH4]+ 164.091723 149.3
[M+K]+ 185.021058 136.4
[M+H-H2O]+ 129.055160 124.3
[M+HCOO]- 191.056101 149.4
[M+CH3COO]- 205.071751 172.6
[M+Na-2H]- 167.032566 131.6
[M]+ 146.05735142 130.5
[M]- 146.05844858 130.5
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

patents stripe