CID 62091894

3-(thiophen-3-yl)-1h-pyrazole-4-carbaldehyde

Structural Information

Molecular Formula
C8H6N2OS
SMILES
C1=CSC=C1C2=C(C=NN2)C=O
InChI
InChI=1S/C8H6N2OS/c11-4-7-3-9-10-8(7)6-1-2-12-5-6/h1-5H,(H,9,10)
InChIKey
LVHIWROIPVTAQF-UHFFFAOYSA-N
Compound name
5-thiophen-3-yl-1H-pyrazole-4-carbaldehyde
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

178.02008 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 179.02736 134.2
[M+Na]+ 201.00930 146.1
[M-H]- 177.01280 138.8
[M+NH4]+ 196.05390 155.5
[M+K]+ 216.98324 142.4
[M+H-H2O]+ 161.01734 128.0
[M+HCOO]- 223.01828 155.1
[M+CH3COO]- 237.03393 148.9
[M+Na-2H]- 198.99475 136.4
[M]+ 178.01953 137.1
[M]- 178.02063 137.1
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

No patent data available for this compound.