CID 853613

1-(2-methyl-allyl)-1h-benzotriazole

Structural Information

Molecular Formula

C₁₀H₁₁N₃

SMILES

CC(=C)CN1C2=CC=CC=C2N=N1

InChI

InChI=1S/C10H11N3/c1-8(2)7-13-10-6-4-3-5-9(10)11-12-13/h3-6H,1,7H2,2H3

InChIKey

TWMGOLSYRXAUBL-UHFFFAOYSA-N

Compound name

1-(2-methylprop-2-enyl)benzotriazole

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 9
Patents: 173.09529 Da
Monoisotopic Mass: 2.6
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]+	174.10257	136.3
[M+Na]+	196.08451	150.3
[M+NH4]+	191.12911	144.5
[M+K]+	212.05845	145.2
[M-H]-	172.08801	137.1
[M+Na-2H]-	194.06996	143.2
[M]+	173.09474	138.4
[M]-	173.09584	138.4

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe