CID 80524083

2-chloro-n-(cyclopropylmethyl)pyridin-4-amine

Structural Information

Molecular Formula
C9H11ClN2
SMILES
C1CC1CNC2=CC(=NC=C2)Cl
InChI
InChI=1S/C9H11ClN2/c10-9-5-8(3-4-11-9)12-6-7-1-2-7/h3-5,7H,1-2,6H2,(H,11,12)
InChIKey
OXPXWLWFXKRVOI-UHFFFAOYSA-N
Compound name
2-chloro-N-(cyclopropylmethyl)pyridin-4-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

182.06108 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 183.06836 136.1
[M+Na]+ 205.05030 146.0
[M-H]- 181.05380 142.0
[M+NH4]+ 200.09490 150.5
[M+K]+ 221.02424 141.1
[M+H-H2O]+ 165.05834 129.2
[M+HCOO]- 227.05928 156.5
[M+CH3COO]- 241.07493 185.5
[M+Na-2H]- 203.03575 143.8
[M]+ 182.06053 138.9
[M]- 182.06163 138.9
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

No patent data available for this compound.