CID 65417776

3-(4-bromo-1h-pyrazol-1-yl)-2,5-dimethylpyrazine

Structural Information

Molecular Formula
C9H9BrN4
SMILES
CC1=CN=C(C(=N1)N2C=C(C=N2)Br)C
InChI
InChI=1S/C9H9BrN4/c1-6-3-11-7(2)9(13-6)14-5-8(10)4-12-14/h3-5H,1-2H3
InChIKey
JWFHLIKOHGCSLU-UHFFFAOYSA-N
Compound name
3-(4-bromopyrazol-1-yl)-2,5-dimethylpyrazine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

252.00105 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 253.00833 143.8
[M+Na]+ 274.99027 158.4
[M-H]- 250.99377 149.1
[M+NH4]+ 270.03487 161.9
[M+K]+ 290.96421 147.0
[M+H-H2O]+ 234.99831 142.0
[M+HCOO]- 296.99925 163.3
[M+CH3COO]- 311.01490 158.9
[M+Na-2H]- 272.97572 150.9
[M]+ 252.00050 163.9
[M]- 252.00160 163.9
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

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No literature data available for this compound.

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No patent data available for this compound.