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]+ 180.05899 134.6
[M+Na]+ 202.04093 146.3
[M-H]- 178.04443 139.0
[M+NH4]+ 197.08553 155.7
[M+K]+ 218.01487 142.1
[M+H-H2O]+ 162.04897 128.3
[M+HCOO]- 224.04991 155.4
[M+CH3COO]- 238.06556 148.9
[M+Na-2H]- 200.02638 136.0
[M]+ 179.05116 135.6
[M]- 179.05226 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.