CID 21728278

3-(2-hydroxyethoxy)propanoic acid

Structural Information

Molecular Formula
C5H10O4
SMILES
C(COCCO)C(=O)O
InChI
InChI=1S/C5H10O4/c6-2-4-9-3-1-5(7)8/h6H,1-4H2,(H,7,8)
InChIKey
GTIFLSYPOXYYFG-UHFFFAOYSA-N
Compound name
3-(2-hydroxyethoxy)propanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

197
Patents

134.0579 Da
Monoisotopic Mass

-1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 135.065176 126.1
[M+Na]+ 157.047118 132.8
[M-H]- 133.050624 123.6
[M+NH4]+ 152.091723 146.4
[M+K]+ 173.021058 132.7
[M+H-H2O]+ 117.055160 121.7
[M+HCOO]- 179.056101 147.3
[M+CH3COO]- 193.071751 166.8
[M+Na-2H]- 155.032566 131.4
[M]+ 134.05735142 127.6
[M]- 134.05844858 127.6
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