CID 81247

6789-99-7

Structural Information

Molecular Formula

C₆H₉N₃

SMILES

C1CCC2=NNN=C2C1

InChI

InChI=1S/C6H9N3/c1-2-4-6-5(3-1)7-9-8-6/h1-4H2,(H,7,8,9)

InChIKey

CKRLKUOWTAEKKX-UHFFFAOYSA-N

Compound name

4,5,6,7-tetrahydro-2H-benzotriazole

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 0
References: 1527
Patents: 123.07965 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]+	124.08693	124.4
[M+Na]+	146.06887	135.9
[M+NH4]+	141.11347	133.1
[M+K]+	162.04281	131.6
[M-H]-	122.07237	124.6
[M+Na-2H]-	144.05432	129.7
[M]+	123.07910	125.8
[M]-	123.08020	125.8

Literature stripe

literature stripe

Patent stripe

patents stripe