CID 62677143

3-(3-amino-5-methyl-1h-pyrazol-1-yl)benzonitrile

Structural Information

Molecular Formula
C11H10N4
SMILES
CC1=CC(=NN1C2=CC=CC(=C2)C#N)N
InChI
InChI=1S/C11H10N4/c1-8-5-11(13)14-15(8)10-4-2-3-9(6-10)7-12/h2-6H,1H3,(H2,13,14)
InChIKey
NKXKRLLDQYLLNO-UHFFFAOYSA-N
Compound name
3-(3-amino-5-methylpyrazol-1-yl)benzonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

198.09055 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 199.09783 145.7
[M+Na]+ 221.07977 158.3
[M+NH4]+ 216.12437 150.2
[M+K]+ 237.05371 150.3
[M-H]- 197.08327 141.5
[M+Na-2H]- 219.06522 150.6
[M]+ 198.09000 145.4
[M]- 198.09110 145.4
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