CID 13303428

91857-96-4

Structural Information

Molecular Formula
C10H11N3
SMILES
CC1=CC(=CC=C1)C2=C(C=NN2)N
InChI
InChI=1S/C10H11N3/c1-7-3-2-4-8(5-7)10-9(11)6-12-13-10/h2-6H,11H2,1H3,(H,12,13)
InChIKey
GCHHQBUSOJUHCL-UHFFFAOYSA-N
Compound name
5-(3-methylphenyl)-1H-pyrazol-4-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

10
Patents

173.09529 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 174.102566 136.3
[M+Na]+ 196.084508 145.3
[M-H]- 172.088014 139.3
[M+NH4]+ 191.129113 154.7
[M+K]+ 212.058448 140.9
[M+H-H2O]+ 156.092550 128.7
[M+HCOO]- 218.093491 159.2
[M+CH3COO]- 232.109141 149.3
[M+Na-2H]- 194.069956 141.5
[M]+ 173.09474142 133.1
[M]- 173.09583858 133.1
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