CID 11052611

3-amino-6-bromopyrazine-2-carbonitrile

Structural Information

Molecular Formula
C5H3BrN4
SMILES
C1=C(N=C(C(=N1)N)C#N)Br
InChI
InChI=1S/C5H3BrN4/c6-4-2-9-5(8)3(1-7)10-4/h2H,(H2,8,9)
InChIKey
XXCFWGIRIFRPER-UHFFFAOYSA-N
Compound name
3-amino-6-bromopyrazine-2-carbonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

287
Patents

197.95412 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 198.96140 124.9
[M+Na]+ 220.94334 138.8
[M-H]- 196.94684 126.6
[M+NH4]+ 215.98794 142.5
[M+K]+ 236.91728 128.1
[M+H-H2O]+ 180.95138 116.6
[M+HCOO]- 242.95232 144.5
[M+CH3COO]- 256.96797 194.6
[M+Na-2H]- 218.92879 133.6
[M]+ 197.95357 135.1
[M]- 197.95467 135.1
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

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