CID 22450529

(6-bromopyridin-3-yl)methanamine

Structural Information

Molecular Formula
C6H7BrN2
SMILES
C1=CC(=NC=C1CN)Br
InChI
InChI=1S/C6H7BrN2/c7-6-2-1-5(3-8)4-9-6/h1-2,4H,3,8H2
InChIKey
AMCICDDTKARWJB-UHFFFAOYSA-N
Compound name
(6-bromopyridin-3-yl)methanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

135
Patents

185.97926 Da
Monoisotopic Mass

0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 186.98654 128.6
[M+Na]+ 208.96848 140.4
[M-H]- 184.97198 133.4
[M+NH4]+ 204.01308 150.3
[M+K]+ 224.94242 129.4
[M+H-H2O]+ 168.97652 128.1
[M+HCOO]- 230.97746 150.7
[M+CH3COO]- 244.99311 180.8
[M+Na-2H]- 206.95393 138.0
[M]+ 185.97871 145.2
[M]- 185.97981 145.2
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