CID 20725231

3-(tert-butyl)picolinonitrile

Structural Information

Molecular Formula

C₁₀H₁₂N₂

SMILES

CC(C)(C)C1=C(N=CC=C1)C#N

InChI

InChI=1S/C10H12N2/c1-10(2,3)8-5-4-6-12-9(8)7-11/h4-6H,1-3H3

InChIKey

XMOXJUWGFXQVKK-UHFFFAOYSA-N

Compound name

3-tert-butylpyridine-2-carbonitrile

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 20
Patents: 160.10005 Da
Monoisotopic Mass: 2.6
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]+	161.10733	136.9
[M+Na]+	183.08927	149.5
[M+NH4]+	178.13387	142.0
[M+K]+	199.06321	140.2
[M-H]-	159.09277	131.3
[M+Na-2H]-	181.07472	141.7
[M]+	160.09950	136.4
[M]-	160.10060	136.4

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe