CID 105441418

5-tert-butyl-2-chloropyridin-3-amine

Structural Information

Molecular Formula

C₉H₁₃ClN₂

SMILES

CC(C)(C)C1=CC(=C(N=C1)Cl)N

InChI

InChI=1S/C9H13ClN2/c1-9(2,3)6-4-7(11)8(10)12-5-6/h4-5H,11H2,1-3H3

InChIKey

UEMZSYDSEGNHKN-UHFFFAOYSA-N

Compound name

5-tert-butyl-2-chloropyridin-3-amine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 6
Patents: 184.07672 Da
Monoisotopic Mass: 2.8
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]+	185.08400	139.3
[M+Na]+	207.06594	152.8
[M+NH4]+	202.11054	148.1
[M+K]+	223.03988	146.3
[M-H]-	183.06944	141.5
[M+Na-2H]-	205.05139	146.4
[M]+	184.07617	142.2
[M]-	184.07727	142.2

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe