CID 14548169

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

Structural Information

Molecular Formula
C8H11NS
SMILES
CC1C2=C(CCN1)C=CS2
InChI
InChI=1S/C8H11NS/c1-6-8-7(2-4-9-6)3-5-10-8/h3,5-6,9H,2,4H2,1H3
InChIKey
NDKKMCDMZGOMPQ-UHFFFAOYSA-N
Compound name
7-methyl-4,5,6,7-tetrahydrothieno[2,3-c]pyridine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

22
Patents

153.06122 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 154.06850 129.8
[M+Na]+ 176.05044 138.3
[M-H]- 152.05394 131.8
[M+NH4]+ 171.09504 152.8
[M+K]+ 192.02438 134.9
[M+H-H2O]+ 136.05848 124.9
[M+HCOO]- 198.05942 144.8
[M+CH3COO]- 212.07507 143.1
[M+Na-2H]- 174.03589 132.8
[M]+ 153.06067 127.8
[M]- 153.06177 127.8
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