CID 92370

Dtxsid00886700

Structural Information

Molecular Formula

C₁₁H₂₄N₂O

SMILES

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

InChI

InChI=1S/C11H24N2O/c1-9(2)7-8-11(6,14)13-12-10(3,4)5/h9,14H,7-8H2,1-6H3

InChIKey

MDDJNDDOPKOSPR-UHFFFAOYSA-N

Compound name

2-(tert-butyldiazenyl)-5-methylhexan-2-ol

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 2
References: 3
Patents: 200.18886 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]+	201.19614	150.5
[M+Na]+	223.17808	155.5
[M-H]-	199.18158	152.1
[M+NH4]+	218.22268	170.4
[M+K]+	239.15202	156.1
[M+H-H2O]+	183.18612	145.6
[M+HCOO]-	245.18706	172.6
[M+CH3COO]-	259.20271	196.0
[M+Na-2H]-	221.16353	156.2
[M]+	200.18831	153.0
[M]-	200.18941	153.0

Literature stripe

literature stripe

Patent stripe

patents stripe