CID 2776469

5-(2-methyl-1,3-thiazol-4-yl)thiophene-2-carboxaldehyde

Structural Information

Molecular Formula
C9H7NOS2
SMILES
CC1=NC(=CS1)C2=CC=C(S2)C=O
InChI
InChI=1S/C9H7NOS2/c1-6-10-8(5-12-6)9-3-2-7(4-11)13-9/h2-5H,1H3
InChIKey
OTEBKLSFEFZNAG-UHFFFAOYSA-N
Compound name
5-(2-methyl-1,3-thiazol-4-yl)thiophene-2-carbaldehyde
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

16
Patents

208.9969 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 210.004176 141.7
[M+Na]+ 231.986118 155.2
[M-H]- 207.989624 149.3
[M+NH4]+ 227.030723 164.6
[M+K]+ 247.960058 151.0
[M+H-H2O]+ 191.994160 136.9
[M+HCOO]- 253.995101 159.5
[M+CH3COO]- 268.010751 156.9
[M+Na-2H]- 229.971566 141.0
[M]+ 208.99635142 147.9
[M]- 208.99744858 147.9
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