CID 79256

5334-43-0

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

9
References

189
Patents

184.07489 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 185.08217 140.1
[M+Na]+ 207.06411 150.8
[M-H]- 183.06761 142.6
[M+NH4]+ 202.10871 156.2
[M+K]+ 223.03805 146.2
[M+H-H2O]+ 167.07215 124.9
[M+HCOO]- 229.07309 160.1
[M+CH3COO]- 243.08874 151.5
[M+Na-2H]- 205.04956 144.9
[M]+ 184.07434 133.2
[M]- 184.07544 133.2
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

patents stripe