CID 4067612

2-(1-phenyl-1h-pyrazol-4-yl)acetonitrile

Structural Information

Molecular Formula
C11H9N3
SMILES
C1=CC=C(C=C1)N2C=C(C=N2)CC#N
InChI
InChI=1S/C11H9N3/c12-7-6-10-8-13-14(9-10)11-4-2-1-3-5-11/h1-5,8-9H,6H2
InChIKey
BWPUFKQLCCDCHQ-UHFFFAOYSA-N
Compound name
2-(1-phenylpyrazol-4-yl)acetonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

183.07965 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 184.08693 138.7
[M+Na]+ 206.06887 149.3
[M-H]- 182.07237 141.2
[M+NH4]+ 201.11347 155.2
[M+K]+ 222.04281 144.4
[M+H-H2O]+ 166.07691 123.4
[M+HCOO]- 228.07785 158.2
[M+CH3COO]- 242.09350 150.4
[M+Na-2H]- 204.05432 144.4
[M]+ 183.07910 133.4
[M]- 183.08020 133.4
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

No patent data available for this compound.