CID 3837601

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

Structural Information

Molecular Formula
C8H9N3S
SMILES
CC1=CC=C(S1)C2=CC(=NN2)N
InChI
InChI=1S/C8H9N3S/c1-5-2-3-7(12-5)6-4-8(9)11-10-6/h2-4H,1H3,(H3,9,10,11)
InChIKey
GHXRJOLJBGMFRN-UHFFFAOYSA-N
Compound name
5-(5-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]+ 180.058986 134.6
[M+Na]+ 202.040928 146.3
[M-H]- 178.044434 139.0
[M+NH4]+ 197.085533 155.7
[M+K]+ 218.014868 142.1
[M+H-H2O]+ 162.048970 128.3
[M+HCOO]- 224.049911 155.4
[M+CH3COO]- 238.065561 148.9
[M+Na-2H]- 200.026376 136.0
[M]+ 179.05116142 135.6
[M]- 179.05225858 135.6
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

No patent data available for this compound.