CID 10749527

Thieno[2,3-c]pyridine-2-carbaldehyde

Structural Information

Molecular Formula
C8H5NOS
SMILES
C1=CN=CC2=C1C=C(S2)C=O
InChI
InChI=1S/C8H5NOS/c10-5-7-3-6-1-2-9-4-8(6)11-7/h1-5H
InChIKey
WVSKUUMKOLSXHM-UHFFFAOYSA-N
Compound name
thieno[2,3-c]pyridine-2-carbaldehyde
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

11
Patents

163.00919 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 164.01647 129.5
[M+Na]+ 185.99841 143.9
[M+NH4]+ 181.04301 139.7
[M+K]+ 201.97235 136.2
[M-H]- 162.00191 132.2
[M+Na-2H]- 183.98386 136.9
[M]+ 163.00864 132.9
[M]- 163.00974 132.9
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe