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

364
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 127.0
[M+Na]+ 155.06786 136.0
[M+NH4]+ 150.11246 133.7
[M+K]+ 171.04180 132.9
[M-H]- 131.07136 124.4
[M+Na-2H]- 153.05331 129.6
[M]+ 132.07809 127.3
[M]- 132.07919 127.3
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