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

0
Patents

186.9745 Da
Monoisotopic Mass

-0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 187.98178 127.0
[M+Na]+ 209.96372 139.3
[M-H]- 185.96722 130.6
[M+NH4]+ 205.00832 147.4
[M+K]+ 225.93766 128.3
[M+H-H2O]+ 169.97176 126.0
[M+HCOO]- 231.97270 148.3
[M+CH3COO]- 245.98835 180.6
[M+Na-2H]- 207.94917 137.2
[M]+ 186.97395 143.9
[M]- 186.97505 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.