CID 54595468

2-amino-3-(4-bromo-1h-pyrazol-1-yl)-2-methylpropanenitrile

Structural Information

Molecular Formula
C7H9BrN4
SMILES
CC(CN1C=C(C=N1)Br)(C#N)N
InChI
InChI=1S/C7H9BrN4/c1-7(10,4-9)5-12-3-6(8)2-11-12/h2-3H,5,10H2,1H3
InChIKey
FIPNVUKDAABFGU-UHFFFAOYSA-N
Compound name
2-amino-3-(4-bromopyrazol-1-yl)-2-methylpropanenitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

228.00105 Da
Monoisotopic Mass

-0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 229.008326 140.3
[M+Na]+ 250.990268 153.2
[M-H]- 226.993774 141.8
[M+NH4]+ 246.034873 158.3
[M+K]+ 266.964208 142.5
[M+H-H2O]+ 210.998310 131.6
[M+HCOO]- 272.999251 158.6
[M+CH3COO]- 287.014901 199.1
[M+Na-2H]- 248.975716 146.7
[M]+ 228.00050142 150.8
[M]- 228.00159858 150.8
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.