CID 91297

Luazo 79

Structural Information

Molecular Formula

C₈H₁₅N₃

SMILES

CC(C)(C)N=NC(C)(C)C#N

InChI

InChI=1S/C8H15N3/c1-7(2,3)10-11-8(4,5)6-9/h1-5H3

InChIKey

PYKCEDJHRUUDRK-UHFFFAOYSA-N

Compound name

2-(tert-butyldiazenyl)-2-methylpropanenitrile

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 0
References: 3126
Patents: 153.1266 Da
Monoisotopic Mass: 1.7
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]+	154.13388	138.7
[M+Na]+	176.11582	146.8
[M-H]-	152.11932	142.1
[M+NH4]+	171.16042	158.6
[M+K]+	192.08976	148.2
[M+H-H2O]+	136.12386	127.2
[M+HCOO]-	198.12480	160.0
[M+CH3COO]-	212.14045	199.6
[M+Na-2H]-	174.10127	146.4
[M]+	153.12605	135.7
[M]-	153.12715	135.7

Literature stripe

literature stripe

Patent stripe

patents stripe