CID 24702210

3-(3-methylthiophen-2-yl)-1h-pyrazol-5-amine

Structural Information

Molecular Formula
C8H9N3S
SMILES
CC1=C(SC=C1)C2=CC(=NN2)N
InChI
InChI=1S/C8H9N3S/c1-5-2-3-12-8(5)6-4-7(9)11-10-6/h2-4H,1H3,(H3,9,10,11)
InChIKey
RNKUQSYVOZWMER-UHFFFAOYSA-N
Compound name
5-(3-methylthiophen-2-yl)-1H-pyrazol-3-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

179.05171 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 180.05899 135.7
[M+Na]+ 202.04093 147.4
[M+NH4]+ 197.08553 144.4
[M+K]+ 218.01487 143.3
[M-H]- 178.04443 138.6
[M+Na-2H]- 200.02638 142.4
[M]+ 179.05116 138.5
[M]- 179.05226 138.5
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

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No literature data available for this compound.

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No patent data available for this compound.