CID 20043962

3663-24-9

Structural Information

Molecular Formula

C₁₀H₁₃N₃

SMILES

CCCCC1=CC2=NNN=C2C=C1

InChI

InChI=1S/C10H13N3/c1-2-3-4-8-5-6-9-10(7-8)12-13-11-9/h5-7H,2-4H2,1H3,(H,11,12,13)

InChIKey

ZCFMGIGLXOKMJC-UHFFFAOYSA-N

Compound name

5-butyl-2H-benzotriazole

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 0
References: 1141
Patents: 175.11095 Da
Monoisotopic Mass: 2.9
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]+	176.11823	137.5
[M+Na]+	198.10017	147.6
[M-H]-	174.10367	137.0
[M+NH4]+	193.14477	156.3
[M+K]+	214.07411	143.3
[M+H-H2O]+	158.10821	129.8
[M+HCOO]-	220.10915	158.4
[M+CH3COO]-	234.12480	150.4
[M+Na-2H]-	196.08562	145.5
[M]+	175.11040	138.9
[M]-	175.11150	138.9

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe