CID 10701863

2-methoxy-2-methylbutanoic acid

Structural Information

Molecular Formula
C6H12O3
SMILES
CCC(C)(C(=O)O)OC
InChI
InChI=1S/C6H12O3/c1-4-6(2,9-3)5(7)8/h4H2,1-3H3,(H,7,8)
InChIKey
ILPPBAVVZSUKHB-UHFFFAOYSA-N
Compound name
2-methoxy-2-methylbutanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

395
Patents

132.07864 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 133.08592 126.7
[M+Na]+ 155.06786 134.0
[M-H]- 131.07136 125.9
[M+NH4]+ 150.11246 148.1
[M+K]+ 171.04180 134.5
[M+H-H2O]+ 115.07590 123.0
[M+HCOO]- 177.07684 147.4
[M+CH3COO]- 191.09249 170.6
[M+Na-2H]- 153.05331 132.8
[M]+ 132.07809 128.6
[M]- 132.07919 128.6
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