CID 33783468

1-methyl-3-(thiophen-3-yl)-1h-pyrazol-5-amine

Structural Information

Molecular Formula
C8H9N3S
SMILES
CN1C(=CC(=N1)C2=CSC=C2)N
InChI
InChI=1S/C8H9N3S/c1-11-8(9)4-7(10-11)6-2-3-12-5-6/h2-5H,9H2,1H3
InChIKey
YQIZGHJLZPBECV-UHFFFAOYSA-N
Compound name
1-methyl-3-thiophen-3-ylpyrazol-5-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

179.05171 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 180.058986 134.4
[M+Na]+ 202.040928 146.6
[M-H]- 178.044434 140.2
[M+NH4]+ 197.085533 156.3
[M+K]+ 218.014868 143.3
[M+H-H2O]+ 162.048970 127.9
[M+HCOO]- 224.049911 156.7
[M+CH3COO]- 238.065561 149.5
[M+Na-2H]- 200.026376 136.1
[M]+ 179.05116142 137.2
[M]- 179.05225858 137.2
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.