CID 82595774

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

Structural Information

Molecular Formula
C5H8N4O2
SMILES
CN1C=C(N=N1)C(C(=O)O)N
InChI
InChI=1S/C5H8N4O2/c1-9-2-3(7-8-9)4(6)5(10)11/h2,4H,6H2,1H3,(H,10,11)
InChIKey
SPLBAEWMRROYDP-UHFFFAOYSA-N
Compound name
2-amino-2-(1-methyltriazol-4-yl)acetic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

156.06473 Da
Monoisotopic Mass

-3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 157.072006 131.0
[M+Na]+ 179.053948 139.3
[M-H]- 155.057454 129.5
[M+NH4]+ 174.098553 148.4
[M+K]+ 195.027888 138.4
[M+H-H2O]+ 139.061990 123.5
[M+HCOO]- 201.062931 151.3
[M+CH3COO]- 215.078581 175.4
[M+Na-2H]- 177.039396 134.6
[M]+ 156.06418142 129.3
[M]- 156.06527858 129.3
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.