CID 43531718

4-(4-amino-1h-pyrazol-1-yl)benzonitrile

Structural Information

Molecular Formula
C10H8N4
SMILES
C1=CC(=CC=C1C#N)N2C=C(C=N2)N
InChI
InChI=1S/C10H8N4/c11-5-8-1-3-10(4-2-8)14-7-9(12)6-13-14/h1-4,6-7H,12H2
InChIKey
BZRBKNBPUFBOPU-UHFFFAOYSA-N
Compound name
4-(4-aminopyrazol-1-yl)benzonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

9
Patents

184.07489 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 185.08217 142.5
[M+Na]+ 207.06411 154.9
[M+NH4]+ 202.10871 147.1
[M+K]+ 223.03805 147.0
[M-H]- 183.06761 138.3
[M+Na-2H]- 205.04956 147.9
[M]+ 184.07434 142.1
[M]- 184.07544 142.1
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

patents stripe