CID 2776469

499770-66-0

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

17
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 143.5
[M+Na]+ 231.98612 156.1
[M+NH4]+ 227.03072 153.2
[M+K]+ 247.96006 148.8
[M-H]- 207.98962 147.1
[M+Na-2H]- 229.97157 149.6
[M]+ 208.99635 147.3
[M]- 208.99745 147.3
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