CID 93314

Dtxsid70886156

Structural Information

Molecular Formula

C₈H₁₈N₂O

SMILES

CCC(C)(N=NC(C)(C)C)O

InChI

InChI=1S/C8H18N2O/c1-6-8(5,11)10-9-7(2,3)4/h11H,6H2,1-5H3

InChIKey

MNRAEINKZAECEF-UHFFFAOYSA-N

Compound name

2-(tert-butyldiazenyl)butan-2-ol

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 0
References: 24
Patents: 158.1419 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]+	159.149176	136.9
[M+Na]+	181.131118	143.3
[M-H]-	157.134624	138.9
[M+NH4]+	176.175723	158.4
[M+K]+	197.105058	144.1
[M+H-H2O]+	141.139160	132.4
[M+HCOO]-	203.140101	160.9
[M+CH3COO]-	217.155751	186.0
[M+Na-2H]-	179.116566	145.3
[M]+	158.14135142	138.8
[M]-	158.14244858	138.8

Literature stripe

literature stripe

Patent stripe

patents stripe