CID 19620636

2-(3-amino-1h-1,2,4-triazol-1-yl)acetic acid dihydrochloride

Structural Information

Molecular Formula
C4H6N4O2
SMILES
C1=NC(=NN1CC(=O)O)N
InChI
InChI=1S/C4H6N4O2/c5-4-6-2-8(7-4)1-3(9)10/h2H,1H2,(H2,5,7)(H,9,10)
InChIKey
WNEPQGXFDUUWRF-UHFFFAOYSA-N
Compound name
2-(3-amino-1,2,4-triazol-1-yl)acetic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

14
Patents

142.04907 Da
Monoisotopic Mass

-0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 143.05635 126.1
[M+Na]+ 165.03829 135.1
[M-H]- 141.04179 124.6
[M+NH4]+ 160.08289 144.1
[M+K]+ 181.01223 133.9
[M+H-H2O]+ 125.04633 118.6
[M+HCOO]- 187.04727 147.6
[M+CH3COO]- 201.06292 171.4
[M+Na-2H]- 163.02374 131.4
[M]+ 142.04852 124.6
[M]- 142.04962 124.6
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

patents stripe