CID 13318712

4-(1h-imidazol-1-yl)thiophene-2-carbaldehyde

Structural Information

Molecular Formula
C8H6N2OS
SMILES
C1=CN(C=N1)C2=CSC(=C2)C=O
InChI
InChI=1S/C8H6N2OS/c11-4-8-3-7(5-12-8)10-2-1-9-6-10/h1-6H
InChIKey
NETHONVYJZOPMN-UHFFFAOYSA-N
Compound name
4-imidazol-1-ylthiophene-2-carbaldehyde
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

12
Patents

178.02008 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 179.02736 133.8
[M+Na]+ 201.00930 146.2
[M-H]- 177.01280 139.9
[M+NH4]+ 196.05390 155.9
[M+K]+ 216.98324 143.5
[M+H-H2O]+ 161.01734 127.4
[M+HCOO]- 223.01828 156.3
[M+CH3COO]- 237.03393 149.2
[M+Na-2H]- 198.99475 136.5
[M]+ 178.01953 138.6
[M]- 178.02063 138.6
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