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

26
Patents

184.07672 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 185.08400 138.5
[M+Na]+ 207.06594 146.7
[M-H]- 183.06944 140.4
[M+NH4]+ 202.11054 157.8
[M+K]+ 223.03988 142.7
[M+H-H2O]+ 167.07398 132.4
[M+HCOO]- 229.07492 158.1
[M+CH3COO]- 243.09057 183.7
[M+Na-2H]- 205.05139 145.8
[M]+ 184.07617 140.4
[M]- 184.07727 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