CID 82405238

(5-bromopyrazin-2-yl)methanamine

Structural Information

Molecular Formula
C5H6BrN3
SMILES
C1=C(N=CC(=N1)Br)CN
InChI
InChI=1S/C5H6BrN3/c6-5-3-8-4(1-7)2-9-5/h2-3H,1,7H2
InChIKey
FLJGCAZQPNJGEY-UHFFFAOYSA-N
Compound name
(5-bromopyrazin-2-yl)methanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

186.9745 Da
Monoisotopic Mass

-0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 187.981776 127.0
[M+Na]+ 209.963718 139.3
[M-H]- 185.967224 130.6
[M+NH4]+ 205.008323 147.4
[M+K]+ 225.937658 128.3
[M+H-H2O]+ 169.971760 126.0
[M+HCOO]- 231.972701 148.3
[M+CH3COO]- 245.988351 180.6
[M+Na-2H]- 207.949166 137.2
[M]+ 186.97395142 143.9
[M]- 186.97504858 143.9
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

No patent data available for this compound.