CID 91930

55912-17-9

Structural Information

Molecular Formula

C₁₂H₂₃N₃O

SMILES

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

InChI

InChI=1S/C12H23N3O/c1-10(2,3)14-15-12(6,9-13)8-11(4,5)16-7/h8H2,1-7H3

InChIKey

XYDCNXPXPVLOPD-UHFFFAOYSA-N

Compound name

2-(tert-butyldiazenyl)-4-methoxy-2,4-dimethylpentanenitrile

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 529
Patents: 225.18411 Da
Monoisotopic Mass: 2.2
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]+	226.19139	157.2
[M+Na]+	248.17333	164.2
[M+NH4]+	243.21793	160.0
[M+K]+	264.14727	157.4
[M-H]-	224.17683	149.3
[M+Na-2H]-	246.15878	157.9
[M]+	225.18356	155.1
[M]-	225.18466	155.1

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe