CID 10559109

3-[(1,3-thiazol-2-yl)amino]propanoic acid

Structural Information

Molecular Formula
C6H8N2O2S
SMILES
C1=CSC(=N1)NCCC(=O)O
InChI
InChI=1S/C6H8N2O2S/c9-5(10)1-2-7-6-8-3-4-11-6/h3-4H,1-2H2,(H,7,8)(H,9,10)
InChIKey
ZIMLUKOGXLTYJJ-UHFFFAOYSA-N
Compound name
3-(1,3-thiazol-2-ylamino)propanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

11
Patents

172.03065 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 173.03793 133.9
[M+Na]+ 195.01987 141.5
[M-H]- 171.02337 135.2
[M+NH4]+ 190.06447 154.1
[M+K]+ 210.99381 139.4
[M+H-H2O]+ 155.02791 127.7
[M+HCOO]- 217.02885 152.7
[M+CH3COO]- 231.04450 175.0
[M+Na-2H]- 193.00532 136.7
[M]+ 172.03010 135.1
[M]- 172.03120 135.1
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