CID 520125

Ethyl 2-hydroxy-3-methylbutanoate

Structural Information

Molecular Formula
C7H14O3
SMILES
CCOC(=O)C(C(C)C)O
InChI
InChI=1S/C7H14O3/c1-4-10-7(9)6(8)5(2)3/h5-6,8H,4H2,1-3H3
InChIKey
IZRVEUZYBVGCFC-UHFFFAOYSA-N
Compound name
ethyl 2-hydroxy-3-methylbutanoate
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

1
References

467
Patents

146.0943 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 147.10158 132.1
[M+Na]+ 169.08352 140.6
[M+NH4]+ 164.12812 138.6
[M+K]+ 185.05746 137.6
[M-H]- 145.08702 129.7
[M+Na-2H]- 167.06897 133.7
[M]+ 146.09375 132.2
[M]- 146.09485 132.2
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