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

18
Patents

208.9969 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 210.00418 141.7
[M+Na]+ 231.98612 155.2
[M-H]- 207.98962 149.3
[M+NH4]+ 227.03072 164.6
[M+K]+ 247.96006 151.0
[M+H-H2O]+ 191.99416 136.9
[M+HCOO]- 253.99510 159.5
[M+CH3COO]- 268.01075 156.9
[M+Na-2H]- 229.97157 141.0
[M]+ 208.99635 147.9
[M]- 208.99745 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