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]+ 163.09648 135.1
[M+Na]+ 185.07842 141.2
[M-H]- 161.08192 134.0
[M+NH4]+ 180.12302 155.1
[M+K]+ 201.05236 142.5
[M+H-H2O]+ 145.08646 130.5
[M+HCOO]- 207.08740 155.3
[M+CH3COO]- 221.10305 176.5
[M+Na-2H]- 183.06387 137.4
[M]+ 162.08865 138.0
[M]- 162.08975 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.