CID 96634947

2378490-42-5

Structural Information

Molecular Formula
C5H8N4O2
SMILES
C1=CN(N=N1)C[C@H](C(=O)O)N
InChI
InChI=1S/C5H8N4O2/c6-4(5(10)11)3-9-2-1-7-8-9/h1-2,4H,3,6H2,(H,10,11)/t4-/m1/s1
InChIKey
WSEIPIFXCRDQNL-SCSAIBSYSA-N
Compound name
(2R)-2-amino-3-(triazol-1-yl)propanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

156.06473 Da
Monoisotopic Mass

-4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 157.072006 130.9
[M+Na]+ 179.053948 138.2
[M-H]- 155.057454 129.0
[M+NH4]+ 174.098553 147.9
[M+K]+ 195.027888 137.3
[M+H-H2O]+ 139.061990 123.0
[M+HCOO]- 201.062931 151.1
[M+CH3COO]- 215.078581 174.2
[M+Na-2H]- 177.039396 135.2
[M]+ 156.06418142 128.7
[M]- 156.06527858 128.7
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

No patent data available for this compound.