CID 24710268

3-(thiophen-3-yl)-1h-pyrazol-5-amine

Structural Information

Molecular Formula
C7H7N3S
SMILES
C1=CSC=C1C2=CC(=NN2)N
InChI
InChI=1S/C7H7N3S/c8-7-3-6(9-10-7)5-1-2-11-4-5/h1-4H,(H3,8,9,10)
InChIKey
GJJJFHBGVQOHJK-UHFFFAOYSA-N
Compound name
5-thiophen-3-yl-1H-pyrazol-3-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

8
Patents

165.03607 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 166.043346 129.9
[M+Na]+ 188.025288 141.2
[M-H]- 164.028794 134.1
[M+NH4]+ 183.069893 151.3
[M+K]+ 203.999228 137.2
[M+H-H2O]+ 148.033330 123.5
[M+HCOO]- 210.034271 151.1
[M+CH3COO]- 224.049921 144.3
[M+Na-2H]- 186.010736 132.4
[M]+ 165.03552142 130.1
[M]- 165.03661858 130.1
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