CID 21941464

5-acetyl-4h,5h,6h,7h-thieno[3,2-c]pyridine-2-carbaldehyde

Structural Information

Molecular Formula
C10H11NO2S
SMILES
CC(=O)N1CCC2=C(C1)C=C(S2)C=O
InChI
InChI=1S/C10H11NO2S/c1-7(13)11-3-2-10-8(5-11)4-9(6-12)14-10/h4,6H,2-3,5H2,1H3
InChIKey
ZALLBCKHSBDXCF-UHFFFAOYSA-N
Compound name
5-acetyl-6,7-dihydro-4H-thieno[3,2-c]pyridine-2-carbaldehyde
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

19
Patents

209.05106 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 210.058336 144.2
[M+Na]+ 232.040278 153.0
[M-H]- 208.043784 147.6
[M+NH4]+ 227.084883 165.5
[M+K]+ 248.014218 150.3
[M+H-H2O]+ 192.048320 138.8
[M+HCOO]- 254.049261 159.6
[M+CH3COO]- 268.064911 183.6
[M+Na-2H]- 230.025726 145.1
[M]+ 209.05051142 145.8
[M]- 209.05160858 145.8
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