CID 20725231

1211518-46-5

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]+	161.107326	137.1
[M+Na]+	183.089268	147.2
[M-H]-	159.092774	139.2
[M+NH4]+	178.133873	154.9
[M+K]+	199.063208	144.7
[M+H-H2O]+	143.097310	124.5
[M+HCOO]-	205.098251	155.0
[M+CH3COO]-	219.113901	191.5
[M+Na-2H]-	181.074716	144.0
[M]+	160.09950142	132.4
[M]-	160.10059858	132.4

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe