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]+ 179.027356 134.2
[M+Na]+ 201.009298 146.1
[M-H]- 177.012804 138.8
[M+NH4]+ 196.053903 155.5
[M+K]+ 216.983238 142.4
[M+H-H2O]+ 161.017340 128.0
[M+HCOO]- 223.018281 155.1
[M+CH3COO]- 237.033931 148.9
[M+Na-2H]- 198.994746 136.4
[M]+ 178.01953142 137.1
[M]- 178.02062858 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.