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

891
Patents

162.05283 Da
Monoisotopic Mass

0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 163.06011 131.8
[M+Na]+ 185.04205 137.7
[M-H]- 161.04555 129.4
[M+NH4]+ 180.08665 150.7
[M+K]+ 201.01599 138.8
[M+H-H2O]+ 145.05009 127.4
[M+HCOO]- 207.05103 150.2
[M+CH3COO]- 221.06668 173.9
[M+Na-2H]- 183.02750 132.9
[M]+ 162.05228 132.5
[M]- 162.05338 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