CID 55278964

1214729-76-6

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

0
References

29
Patents

142.02977 Da
Monoisotopic Mass

0.3
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

No literature data available for this compound.

Patent stripe

patents stripe