CID 21993131

Ethyl 2-hydroxy-3-methoxypropanoate

Structural Information

Molecular Formula
C6H12O4
SMILES
CCOC(=O)C(COC)O
InChI
InChI=1S/C6H12O4/c1-3-10-6(8)5(7)4-9-2/h5,7H,3-4H2,1-2H3
InChIKey
NRIKZWZJVNSHAY-UHFFFAOYSA-N
Compound name
ethyl 2-hydroxy-3-methoxypropanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

51
Patents

148.07356 Da
Monoisotopic Mass

-0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 149.08084 130.4
[M+Na]+ 171.06278 137.0
[M-H]- 147.06628 129.4
[M+NH4]+ 166.10738 151.0
[M+K]+ 187.03672 138.1
[M+H-H2O]+ 131.07082 125.8
[M+HCOO]- 193.07176 151.9
[M+CH3COO]- 207.08741 172.6
[M+Na-2H]- 169.04823 134.5
[M]+ 148.07301 133.5
[M]- 148.07411 133.5
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