CID 2735464

79098-96-7

Structural Information

Molecular Formula

C₁₁H₁₄N₄

SMILES

C1CNCCC1N2C3=CC=CC=C3N=N2

InChI

InChI=1S/C11H14N4/c1-2-4-11-10(3-1)13-14-15(11)9-5-7-12-8-6-9/h1-4,9,12H,5-8H2

InChIKey

SIAVYRCOEMDHCU-UHFFFAOYSA-N

Compound name

1-piperidin-4-ylbenzotriazole

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 141
Patents: 202.12184 Da
Monoisotopic Mass: 1.5
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]+	203.12912	144.7
[M+Na]+	225.11106	152.5
[M-H]-	201.11456	145.1
[M+NH4]+	220.15566	160.0
[M+K]+	241.08500	147.5
[M+H-H2O]+	185.11910	134.8
[M+HCOO]-	247.12004	160.9
[M+CH3COO]-	261.13569	155.5
[M+Na-2H]-	223.09651	151.0
[M]+	202.12129	140.0
[M]-	202.12239	140.0

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe