CID 2517659

4394-26-7

Structural Information

Molecular Formula
C8H9N3S
SMILES
C1=CSC(=C1)CN2C(=CC=N2)N
InChI
InChI=1S/C8H9N3S/c9-8-3-4-10-11(8)6-7-2-1-5-12-7/h1-5H,6,9H2
InChIKey
KFEVMOCBDLBBKX-UHFFFAOYSA-N
Compound name
2-(thiophen-2-ylmethyl)pyrazol-3-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

6
References

31
Patents

179.05171 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 180.05899 135.3
[M+Na]+ 202.04093 147.2
[M+NH4]+ 197.08553 144.3
[M+K]+ 218.01487 142.5
[M-H]- 178.04443 138.6
[M+Na-2H]- 200.02638 142.8
[M]+ 179.05116 138.3
[M]- 179.05226 138.3
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe