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

53
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 133.7
[M+Na]+ 202.04093 143.7
[M-H]- 178.04443 137.8
[M+NH4]+ 197.08553 154.5
[M+K]+ 218.01487 140.0
[M+H-H2O]+ 162.04897 126.7
[M+HCOO]- 224.04991 155.2
[M+CH3COO]- 238.06556 147.6
[M+Na-2H]- 200.02638 137.5
[M]+ 179.05116 134.9
[M]- 179.05226 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