CID 660367

175135-59-8

Structural Information

Molecular Formula
C11H10N4
SMILES
CC1=CC(=CC=C1)N2C(=C(C=N2)C#N)N
InChI
InChI=1S/C11H10N4/c1-8-3-2-4-10(5-8)15-11(13)9(6-12)7-14-15/h2-5,7H,13H2,1H3
InChIKey
VLJAYJZISRDURH-UHFFFAOYSA-N
Compound name
5-amino-1-(3-methylphenyl)pyrazole-4-carbonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

7
References

10
Patents

198.09055 Da
Monoisotopic Mass

2.2
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

literature stripe

Patent stripe

patents stripe