CID 17151573

3-ethoxy-2-methylpropanoic acid

Structural Information

Molecular Formula
C6H12O3
SMILES
CCOCC(C)C(=O)O
InChI
InChI=1S/C6H12O3/c1-3-9-4-5(2)6(7)8/h5H,3-4H2,1-2H3,(H,7,8)
InChIKey
ZBIAIQCCZGYWSP-UHFFFAOYSA-N
Compound name
3-ethoxy-2-methylpropanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

499
Patents

132.07864 Da
Monoisotopic Mass

0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 133.08592 127.4
[M+Na]+ 155.06786 136.4
[M+NH4]+ 150.11246 134.2
[M+K]+ 171.04180 132.8
[M-H]- 131.07136 125.3
[M+Na-2H]- 153.05331 129.7
[M]+ 132.07809 127.7
[M]- 132.07919 127.7
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