CID 22992264

(5-bromopyridin-3-yl)methanamine

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-bromopyridin-3-yl)methanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

388
Patents

185.97926 Da
Monoisotopic Mass

0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 186.98654 130.5
[M+Na]+ 208.96848 134.1
[M+NH4]+ 204.01308 135.8
[M+K]+ 224.94242 133.8
[M-H]- 184.97198 131.6
[M+Na-2H]- 206.95393 135.1
[M]+ 185.97871 130.1
[M]- 185.97981 130.1
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

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