CID 581853

3-chloropyridin-4-amine

Structural Information

Molecular Formula
C5H5ClN2
SMILES
C1=CN=CC(=C1N)Cl
InChI
InChI=1S/C5H5ClN2/c6-4-3-8-2-1-5(4)7/h1-3H,(H2,7,8)
InChIKey
KJBKPRMEMJKXDV-UHFFFAOYSA-N
Compound name
3-chloropyridin-4-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

9
References

537
Patents

128.01413 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 129.02141 120.4
[M+Na]+ 151.00335 130.4
[M-H]- 127.00685 122.6
[M+NH4]+ 146.04795 141.7
[M+K]+ 166.97729 127.0
[M+H-H2O]+ 111.01139 115.3
[M+HCOO]- 173.01233 140.8
[M+CH3COO]- 187.02798 170.9
[M+Na-2H]- 148.98880 128.9
[M]+ 128.01358 119.8
[M]- 128.01468 119.8
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe