CID 170301

1-(4-chlorophenyl)-3-methyl-1h-pyrazol-5-amine

Structural Information

Molecular Formula
C10H10ClN3
SMILES
CC1=NN(C(=C1)N)C2=CC=C(C=C2)Cl
InChI
InChI=1S/C10H10ClN3/c1-7-6-10(12)14(13-7)9-4-2-8(11)3-5-9/h2-6H,12H2,1H3
InChIKey
CLORQKXFDBKDCZ-UHFFFAOYSA-N
Compound name
2-(4-chlorophenyl)-5-methylpyrazol-3-amine
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

8
References

46
Patents

207.05632 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 208.06360 142.6
[M+Na]+ 230.04554 157.2
[M+NH4]+ 225.09014 151.5
[M+K]+ 246.01948 151.6
[M-H]- 206.04904 146.4
[M+Na-2H]- 228.03099 151.1
[M]+ 207.05577 146.0
[M]- 207.05687 146.0
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

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Patent stripe

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