CID 219858

5-amino-3-methyl-1-phenyl-1h-pyrazole-4-carbonitrile

Structural Information

Molecular Formula
C11H10N4
SMILES
CC1=NN(C(=C1C#N)N)C2=CC=CC=C2
InChI
InChI=1S/C11H10N4/c1-8-10(7-12)11(13)15(14-8)9-5-3-2-4-6-9/h2-6H,13H2,1H3
InChIKey
VWOYPUVIGCTVSC-UHFFFAOYSA-N
Compound name
5-amino-3-methyl-1-phenylpyrazole-4-carbonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

78
Patents

198.09055 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 199.097826 144.4
[M+Na]+ 221.079768 155.5
[M-H]- 197.083274 147.1
[M+NH4]+ 216.124373 160.2
[M+K]+ 237.053708 150.7
[M+H-H2O]+ 181.087810 129.3
[M+HCOO]- 243.088751 164.1
[M+CH3COO]- 257.104401 155.7
[M+Na-2H]- 219.065216 148.0
[M]+ 198.09000142 138.2
[M]- 198.09109858 138.2
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