CID 6653

Ethyl 2-hydroxyisobutyrate

Structural Information

Molecular Formula
C6H12O3
SMILES
CCOC(=O)C(C)(C)O
InChI
InChI=1S/C6H12O3/c1-4-9-5(7)6(2,3)8/h8H,4H2,1-3H3
InChIKey
GFUIDHWFLMPAGY-UHFFFAOYSA-N
Compound name
ethyl 2-hydroxy-2-methylpropanoate
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

1
References

15975
Patents

132.07864 Da
Monoisotopic Mass

0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 133.085916 126.8
[M+Na]+ 155.067858 134.3
[M-H]- 131.071364 126.2
[M+NH4]+ 150.112463 148.4
[M+K]+ 171.041798 134.8
[M+H-H2O]+ 115.075900 123.3
[M+HCOO]- 177.076841 147.6
[M+CH3COO]- 191.092491 170.0
[M+Na-2H]- 153.053306 133.0
[M]+ 132.07809142 128.7
[M]- 132.07918858 128.7
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