CID 22451740

864461-13-2

Structural Information

Molecular Formula
C6H7BrN2
SMILES
C1=CN=C(C=C1CBr)N
InChI
InChI=1S/C6H7BrN2/c7-4-5-1-2-9-6(8)3-5/h1-3H,4H2,(H2,8,9)
InChIKey
WWBVETAABCTVTI-UHFFFAOYSA-N
Compound name
4-(bromomethyl)pyridin-2-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

69
Patents

185.97926 Da
Monoisotopic Mass

0.8
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

No literature data available for this compound.

Patent stripe

patents stripe