CID 12256008

2-hydroxy-3-methoxypropanoic acid

Structural Information

Molecular Formula
C4H8O4
SMILES
COCC(C(=O)O)O
InChI
InChI=1S/C4H8O4/c1-8-2-3(5)4(6)7/h3,5H,2H2,1H3,(H,6,7)
InChIKey
JFISKVPZHADVPM-UHFFFAOYSA-N
Compound name
2-hydroxy-3-methoxypropanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

66
Patents

120.04226 Da
Monoisotopic Mass

-1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 121.049536 121.7
[M+Na]+ 143.031478 128.7
[M-H]- 119.034984 119.6
[M+NH4]+ 138.076083 142.6
[M+K]+ 159.005418 129.3
[M+H-H2O]+ 103.039520 117.7
[M+HCOO]- 165.040461 142.3
[M+CH3COO]- 179.056111 164.6
[M+Na-2H]- 141.016926 126.3
[M]+ 120.04171142 122.2
[M]- 120.04280858 122.2
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

patents stripe