CID 22450493

N-butyl-6-chloropyridin-3-amine

Structural Information

Molecular Formula
C9H13ClN2
SMILES
CCCCNC1=CN=C(C=C1)Cl
InChI
InChI=1S/C9H13ClN2/c1-2-3-6-11-8-4-5-9(10)12-7-8/h4-5,7,11H,2-3,6H2,1H3
InChIKey
DZJGEJZWUVEHEJ-UHFFFAOYSA-N
Compound name
N-butyl-6-chloropyridin-3-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

16
Patents

184.07672 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 185.083996 138.5
[M+Na]+ 207.065938 146.7
[M-H]- 183.069444 140.4
[M+NH4]+ 202.110543 157.8
[M+K]+ 223.039878 142.7
[M+H-H2O]+ 167.073980 132.4
[M+HCOO]- 229.074921 158.1
[M+CH3COO]- 243.090571 183.7
[M+Na-2H]- 205.051386 145.8
[M]+ 184.07617142 140.4
[M]- 184.07726858 140.4
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