CID 84650507

2-hydroxy-3-(1,2,4-triazol-1-yl)propanoic acid

Structural Information

Molecular Formula
C5H7N3O3
SMILES
C1=NN(C=N1)CC(C(=O)O)O
InChI
InChI=1S/C5H7N3O3/c9-4(5(10)11)1-8-3-6-2-7-8/h2-4,9H,1H2,(H,10,11)
InChIKey
KJRGHGWETVMENC-UHFFFAOYSA-N
Compound name
2-hydroxy-3-(1,2,4-triazol-1-yl)propanoic acid
Related CIDs

2D Structure

compound 2d structure
5
Annotation Hits

0
References

13
Patents

157.04874 Da
Monoisotopic Mass

-1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 158.05602 130.3
[M+Na]+ 180.03796 138.0
[M-H]- 156.04146 127.5
[M+NH4]+ 175.08256 147.1
[M+K]+ 196.01190 137.2
[M+H-H2O]+ 140.04600 123.0
[M+HCOO]- 202.04694 148.8
[M+CH3COO]- 216.06259 169.4
[M+Na-2H]- 178.02341 134.7
[M]+ 157.04819 129.5
[M]- 157.04929 129.5
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