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

Adduct m/z Predicted CCS (Ų)
[M+H]+ 185.083996 139.8
[M+Na]+ 207.065938 149.6
[M-H]- 183.069444 142.2
[M+NH4]+ 202.110543 159.5
[M+K]+ 223.039878 145.6
[M+H-H2O]+ 167.073980 134.7
[M+HCOO]- 229.074921 157.2
[M+CH3COO]- 243.090571 183.9
[M+Na-2H]- 205.051386 145.9
[M]+ 184.07617142 140.5
[M]- 184.07726858 140.5
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe