CID 1367

1-aminobenzotriazole

Structural Information

Molecular Formula

C₆H₆N₄

SMILES

C1=CC=C2C(=C1)N=NN2N

InChI

InChI=1S/C6H6N4/c7-10-6-4-2-1-3-5(6)8-9-10/h1-4H,7H2

InChIKey

JCXKHYLLVKZPKE-UHFFFAOYSA-N

Compound name

benzotriazol-1-amine

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 340
References: 2432
Patents: 134.05925 Da
Monoisotopic Mass: 0.9
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]+	135.06653	122.2
[M+Na]+	157.04847	133.7
[M-H]-	133.05197	123.3
[M+NH4]+	152.09307	142.7
[M+K]+	173.02241	130.8
[M+H-H2O]+	117.05651	114.7
[M+HCOO]-	179.05745	146.5
[M+CH3COO]-	193.07310	136.8
[M+Na-2H]-	155.03392	132.4
[M]+	134.05870	122.4
[M]-	134.05980	122.4

Literature stripe

literature stripe

Patent stripe

patents stripe