CID 4962242

956506-27-7

Structural Information

Molecular Formula
C8H9N3S
SMILES
C1=CSC=C1CN2C(=CC=N2)N
InChI
InChI=1S/C8H9N3S/c9-8-1-3-10-11(8)5-7-2-4-12-6-7/h1-4,6H,5,9H2
InChIKey
NDWSUFOXJFBUHN-UHFFFAOYSA-N
Compound name
2-(thiophen-3-ylmethyl)pyrazol-3-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

20
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 134.2
[M+Na]+ 202.040928 145.5
[M-H]- 178.044434 139.6
[M+NH4]+ 197.085533 155.7
[M+K]+ 218.014868 142.2
[M+H-H2O]+ 162.048970 127.3
[M+HCOO]- 224.049911 156.5
[M+CH3COO]- 238.065561 148.9
[M+Na-2H]- 200.026376 136.6
[M]+ 179.05116142 136.6
[M]- 179.05225858 136.6
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