CID 22992264

3-(aminomethyl)-5-bromopyridine

Structural Information

Molecular Formula
C6H7BrN2
SMILES
C1=C(C=NC=C1Br)CN
InChI
InChI=1S/C6H7BrN2/c7-6-1-5(2-8)3-9-4-6/h1,3-4H,2,8H2
InChIKey
OQUHYNMITHDQLD-UHFFFAOYSA-N
Compound name
(5-bromo-3-pyridinyl)methanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

484
Patents

185.97926 Da
Monoisotopic Mass

0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 186.986536 128.6
[M+Na]+ 208.968478 140.4
[M-H]- 184.971984 133.4
[M+NH4]+ 204.013083 150.3
[M+K]+ 224.942418 129.4
[M+H-H2O]+ 168.976520 128.1
[M+HCOO]- 230.977461 150.7
[M+CH3COO]- 244.993111 180.8
[M+Na-2H]- 206.953926 138.0
[M]+ 185.97871142 145.2
[M]- 185.97980858 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