CID 42656760

4-(3-amino-1h-pyrazol-1-yl)benzonitrile

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

0
References

53
Patents

184.07489 Da
Monoisotopic Mass

1.3
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

No literature data available for this compound.

Patent stripe

patents stripe