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

25
Patents

178.02008 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 179.027356 133.8
[M+Na]+ 201.009298 146.2
[M-H]- 177.012804 139.9
[M+NH4]+ 196.053903 155.9
[M+K]+ 216.983238 143.5
[M+H-H2O]+ 161.017340 127.4
[M+HCOO]- 223.018281 156.3
[M+CH3COO]- 237.033931 149.2
[M+Na-2H]- 198.994746 136.5
[M]+ 178.01953142 138.6
[M]- 178.02062858 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