CID 225435

5-amino-1-benzyl-1h-1,2,3-triazole-4-carboxamide

Structural Information

Molecular Formula

C₁₀H₁₁N₅O

SMILES

C1=CC=C(C=C1)CN2C(=C(N=N2)C(=O)N)N

InChI

InChI=1S/C10H11N5O/c11-9-8(10(12)16)13-14-15(9)6-7-4-2-1-3-5-7/h1-5H,6,11H2,(H2,12,16)

InChIKey

SPSJTSUTONSWEX-UHFFFAOYSA-N

Compound name

5-amino-1-benzyltriazole-4-carboxamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 7
References: 47
Patents: 217.09636 Da
Monoisotopic Mass: 0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	218.10364	146.5
[M+Na]+	240.08558	157.3
[M+NH4]+	235.13018	152.6
[M+K]+	256.05952	154.7
[M-H]-	216.08908	148.5
[M+Na-2H]-	238.07103	153.1
[M]+	217.09581	148.2
[M]-	217.09691	148.2

Literature stripe

literature stripe

Patent stripe

patents stripe