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

41
Patents

179.05171 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 180.058986 133.7
[M+Na]+ 202.040928 143.7
[M-H]- 178.044434 137.8
[M+NH4]+ 197.085533 154.5
[M+K]+ 218.014868 140.0
[M+H-H2O]+ 162.048970 126.7
[M+HCOO]- 224.049911 155.2
[M+CH3COO]- 238.065561 147.6
[M+Na-2H]- 200.026376 137.5
[M]+ 179.05116142 134.9
[M]- 179.05225858 134.9
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