CID 591301

1-(1,3-thiazol-2-yl)-1h-pyrrole-2-carbaldehyde

Structural Information

Molecular Formula
C8H6N2OS
SMILES
C1=CN(C(=C1)C=O)C2=NC=CS2
InChI
InChI=1S/C8H6N2OS/c11-6-7-2-1-4-10(7)8-9-3-5-12-8/h1-6H
InChIKey
MJMPLOXIKWGERX-UHFFFAOYSA-N
Compound name
1-(1,3-thiazol-2-yl)pyrrole-2-carbaldehyde
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

27
Patents

178.02008 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 179.02736 135.6
[M+Na]+ 201.00930 148.6
[M+NH4]+ 196.05390 144.5
[M+K]+ 216.98324 143.6
[M-H]- 177.01280 138.1
[M+Na-2H]- 198.99475 143.1
[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