CID 71058534

3-(aminomethyl)-5-bromopyridin-2-amine

Structural Information

Molecular Formula
C6H8BrN3
SMILES
C1=C(C=NC(=C1CN)N)Br
InChI
InChI=1S/C6H8BrN3/c7-5-1-4(2-8)6(9)10-3-5/h1,3H,2,8H2,(H2,9,10)
InChIKey
DQWDOHYXWCRROX-UHFFFAOYSA-N
Compound name
3-(aminomethyl)-5-bromopyridin-2-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

15
Patents

200.99016 Da
Monoisotopic Mass

0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 201.99744 132.7
[M+Na]+ 223.97938 144.4
[M-H]- 199.98288 137.2
[M+NH4]+ 219.02398 153.3
[M+K]+ 239.95332 132.5
[M+H-H2O]+ 183.98742 131.4
[M+HCOO]- 245.98836 155.0
[M+CH3COO]- 260.00401 185.9
[M+Na-2H]- 221.96483 140.5
[M]+ 200.98961 147.9
[M]- 200.99071 147.9
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