CID 21724033

1-methyl-3-(p-tolyl)-1h-pyrazol-5-amine

Structural Information

Molecular Formula
C11H13N3
SMILES
CC1=CC=C(C=C1)C2=NN(C(=C2)N)C
InChI
InChI=1S/C11H13N3/c1-8-3-5-9(6-4-8)10-7-11(12)14(2)13-10/h3-7H,12H2,1-2H3
InChIKey
GTMIYUPNSLVGLF-UHFFFAOYSA-N
Compound name
1-methyl-3-(4-methylphenyl)pyrazol-5-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

36
Patents

187.11095 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 188.118226 140.6
[M+Na]+ 210.100168 150.5
[M-H]- 186.103674 145.2
[M+NH4]+ 205.144773 159.5
[M+K]+ 226.074108 146.8
[M+H-H2O]+ 170.108210 132.8
[M+HCOO]- 232.109151 164.6
[M+CH3COO]- 246.124801 185.8
[M+Na-2H]- 208.085616 145.0
[M]+ 187.11040142 140.0
[M]- 187.11149858 140.0
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