CID 3828587

2-(1-carboxyethoxy)propanoic acid

Structural Information

Molecular Formula
C6H10O5
SMILES
CC(C(=O)O)OC(C)C(=O)O
InChI
InChI=1S/C6H10O5/c1-3(5(7)8)11-4(2)6(9)10/h3-4H,1-2H3,(H,7,8)(H,9,10)
InChIKey
FBYFHODQAUBIOO-UHFFFAOYSA-N
Compound name
2-(1-carboxyethoxy)propanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1023
Patents

162.05283 Da
Monoisotopic Mass

0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 163.060106 131.8
[M+Na]+ 185.042048 137.7
[M-H]- 161.045554 129.4
[M+NH4]+ 180.086653 150.7
[M+K]+ 201.015988 138.8
[M+H-H2O]+ 145.050090 127.4
[M+HCOO]- 207.051031 150.2
[M+CH3COO]- 221.066681 173.9
[M+Na-2H]- 183.027496 132.9
[M]+ 162.05228142 132.5
[M]- 162.05337858 132.5
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