CID 222905

3-[(2-hydroxyethyl)amino]propanoic acid

Structural Information

Molecular Formula
C5H11NO3
SMILES
C(CNCCO)C(=O)O
InChI
InChI=1S/C5H11NO3/c7-4-3-6-2-1-5(8)9/h6-7H,1-4H2,(H,8,9)
InChIKey
PPDDDJFBMYJHBK-UHFFFAOYSA-N
Compound name
3-(2-hydroxyethylamino)propanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

76
Patents

133.0739 Da
Monoisotopic Mass

-3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 134.08118 127.3
[M+Na]+ 156.06312 133.2
[M-H]- 132.06662 124.8
[M+NH4]+ 151.10772 147.4
[M+K]+ 172.03706 132.5
[M+H-H2O]+ 116.07116 122.6
[M+HCOO]- 178.07210 149.3
[M+CH3COO]- 192.08775 169.6
[M+Na-2H]- 154.04857 132.7
[M]+ 133.07335 126.5
[M]- 133.07445 126.5
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