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]+ 229.00833 140.3
[M+Na]+ 250.99027 153.2
[M-H]- 226.99377 141.8
[M+NH4]+ 246.03487 158.3
[M+K]+ 266.96421 142.5
[M+H-H2O]+ 210.99831 131.6
[M+HCOO]- 272.99925 158.6
[M+CH3COO]- 287.01490 199.1
[M+Na-2H]- 248.97572 146.7
[M]+ 228.00050 150.8
[M]- 228.00160 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.