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

19
Patents

153.06122 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 154.068496 129.8
[M+Na]+ 176.050438 138.3
[M-H]- 152.053944 131.8
[M+NH4]+ 171.095043 152.8
[M+K]+ 192.024378 134.9
[M+H-H2O]+ 136.058480 124.9
[M+HCOO]- 198.059421 144.8
[M+CH3COO]- 212.075071 143.1
[M+Na-2H]- 174.035886 132.8
[M]+ 153.06067142 127.8
[M]- 153.06176858 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