CID 523184

96799-03-0

Structural Information

Molecular Formula
C7H7N3S
SMILES
C1=CSC(=C1)C2=CC(=NN2)N
InChI
InChI=1S/C7H7N3S/c8-7-4-5(9-10-7)6-2-1-3-11-6/h1-4H,(H3,8,9,10)
InChIKey
TXSOLYKLZBJHFF-UHFFFAOYSA-N
Compound name
5-thiophen-2-yl-1H-pyrazol-3-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

180
Patents

165.03607 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 166.04335 130.9
[M+Na]+ 188.02529 142.4
[M+NH4]+ 183.06989 139.8
[M+K]+ 203.99923 138.4
[M-H]- 164.02879 133.7
[M+Na-2H]- 186.01074 138.1
[M]+ 165.03552 133.6
[M]- 165.03662 133.6
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