CID 22727148

(4-chloropyridin-2-yl)methanamine

Structural Information

Molecular Formula
C6H7ClN2
SMILES
C1=CN=C(C=C1Cl)CN
InChI
InChI=1S/C6H7ClN2/c7-5-1-2-9-6(3-5)4-8/h1-3H,4,8H2
InChIKey
FZCYDUZIHRNWSQ-UHFFFAOYSA-N
Compound name
(4-chloropyridin-2-yl)methanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

249
Patents

142.02977 Da
Monoisotopic Mass

0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 143.03705 125.0
[M+Na]+ 165.01899 134.6
[M-H]- 141.02249 127.1
[M+NH4]+ 160.06359 145.8
[M+K]+ 180.99293 130.9
[M+H-H2O]+ 125.02703 119.7
[M+HCOO]- 187.02797 145.1
[M+CH3COO]- 201.04362 174.0
[M+Na-2H]- 163.00444 133.0
[M]+ 142.02922 124.9
[M]- 142.03032 124.9
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