CID 597153

3-(thiophen-2-yl)-1h-pyrazol-5-ol

Structural Information

Molecular Formula
C7H6N2OS
SMILES
C1=CSC(=C1)C2=CC(=O)NN2
InChI
InChI=1S/C7H6N2OS/c10-7-4-5(8-9-7)6-2-1-3-11-6/h1-4H,(H2,8,9,10)
InChIKey
BLTOVFJWWASIKT-UHFFFAOYSA-N
Compound name
5-thiophen-2-yl-1,2-dihydropyrazol-3-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

6
Patents

166.02008 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 167.02736 131.9
[M+Na]+ 189.00930 144.0
[M+NH4]+ 184.05390 140.2
[M+K]+ 204.98324 139.9
[M-H]- 165.01280 133.4
[M+Na-2H]- 186.99475 138.4
[M]+ 166.01953 134.3
[M]- 166.02063 134.3
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