CID 67516220

N-(2-thienylmethyl)-1h-pyrazol-3-amine

Structural Information

Molecular Formula
C8H9N3S
SMILES
C1=CSC(=C1)CNC2=CC=NN2
InChI
InChI=1S/C8H9N3S/c1-2-7(12-5-1)6-9-8-3-4-10-11-8/h1-5H,6H2,(H2,9,10,11)
InChIKey
OSEVYAQLAPTMCT-UHFFFAOYSA-N
Compound name
N-(thiophen-2-ylmethyl)-1H-pyrazol-5-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

39
Patents

179.05171 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 180.05899 135.1
[M+Na]+ 202.04093 146.4
[M+NH4]+ 197.08553 144.0
[M+K]+ 218.01487 141.6
[M-H]- 178.04443 138.0
[M+Na-2H]- 200.02638 142.8
[M]+ 179.05116 137.8
[M]- 179.05226 137.8
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

patents stripe