CID 13661111

Methyl 3-ethoxy-2-hydroxybutanoate

Structural Information

Molecular Formula
C7H14O4
SMILES
CCOC(C)C(C(=O)OC)O
InChI
InChI=1S/C7H14O4/c1-4-11-5(2)6(8)7(9)10-3/h5-6,8H,4H2,1-3H3
InChIKey
RONLQXJNJZYHHK-UHFFFAOYSA-N
Compound name
methyl 3-ethoxy-2-hydroxybutanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

162.0892 Da
Monoisotopic Mass

0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 163.096476 135.1
[M+Na]+ 185.078418 141.2
[M-H]- 161.081924 134.0
[M+NH4]+ 180.123023 155.1
[M+K]+ 201.052358 142.5
[M+H-H2O]+ 145.086460 130.5
[M+HCOO]- 207.087401 155.3
[M+CH3COO]- 221.103051 176.5
[M+Na-2H]- 183.063866 137.4
[M]+ 162.08865142 138.0
[M]- 162.08974858 138.0
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

No patent data available for this compound.