CID 71058534

1335057-71-0

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

16
Patents

200.99016 Da
Monoisotopic Mass

0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 201.997436 132.7
[M+Na]+ 223.979378 144.4
[M-H]- 199.982884 137.2
[M+NH4]+ 219.023983 153.3
[M+K]+ 239.953318 132.5
[M+H-H2O]+ 183.987420 131.4
[M+HCOO]- 245.988361 155.0
[M+CH3COO]- 260.004011 185.9
[M+Na-2H]- 221.964826 140.5
[M]+ 200.98961142 147.9
[M]- 200.99070858 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