CID 140003

Methyl 2,3-dihydroxypropanoate

Structural Information

Molecular Formula
C4H8O4
SMILES
COC(=O)C(CO)O
InChI
InChI=1S/C4H8O4/c1-8-4(7)3(6)2-5/h3,5-6H,2H2,1H3
InChIKey
COFCNNXZXGCREM-UHFFFAOYSA-N
Compound name
methyl 2,3-dihydroxypropanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

243
Patents

120.04226 Da
Monoisotopic Mass

-1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 121.04954 122.2
[M+Na]+ 143.03148 130.5
[M+NH4]+ 138.07608 128.3
[M+K]+ 159.00542 128.3
[M-H]- 119.03498 119.0
[M+Na-2H]- 141.01693 123.8
[M]+ 120.04171 121.9
[M]- 120.04281 121.9
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