CID 18377318

2624122-39-8

Structural Information

Molecular Formula
C8H11NS
SMILES
CC1=CSC2=C1CNCC2
InChI
InChI=1S/C8H11NS/c1-6-5-10-8-2-3-9-4-7(6)8/h5,9H,2-4H2,1H3
InChIKey
ZUZMVTSAPQEJGT-UHFFFAOYSA-N
Compound name
3-methyl-4,5,6,7-tetrahydrothieno[3,2-c]pyridine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

18
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

No literature data available for this compound.

Patent stripe

patents stripe