CID 7020927

97004-04-1

Structural Information

Molecular Formula
C6H7ClN2
SMILES
C1=CC(=NC=C1CN)Cl
InChI
InChI=1S/C6H7ClN2/c7-6-2-1-5(3-8)4-9-6/h1-2,4H,3,8H2
InChIKey
XPARFBOWIYMLMY-UHFFFAOYSA-N
Compound name
(6-chloropyridin-3-yl)methanamine
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

1442
Patents

142.02977 Da
Monoisotopic Mass

0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 143.03705 124.2
[M+Na]+ 165.01899 138.2
[M+NH4]+ 160.06359 133.8
[M+K]+ 180.99293 131.1
[M-H]- 141.02249 127.0
[M+Na-2H]- 163.00444 132.6
[M]+ 142.02922 127.3
[M]- 142.03032 127.3
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