CID 71777789

1428233-87-7

Structural Information

Molecular Formula
C8H11NOS
SMILES
C1CNC(C2=C1SC=C2)CO
InChI
InChI=1S/C8H11NOS/c10-5-7-6-2-4-11-8(6)1-3-9-7/h2,4,7,9-10H,1,3,5H2
InChIKey
VJQBIPPJWWDFOF-UHFFFAOYSA-N
Compound name
4,5,6,7-tetrahydrothieno[3,2-c]pyridin-4-ylmethanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

169.05614 Da
Monoisotopic Mass

0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 170.063416 133.4
[M+Na]+ 192.045358 141.3
[M-H]- 168.048864 133.9
[M+NH4]+ 187.089963 154.9
[M+K]+ 208.019298 137.4
[M+H-H2O]+ 152.053400 128.6
[M+HCOO]- 214.054341 147.1
[M+CH3COO]- 228.069991 145.8
[M+Na-2H]- 190.030806 136.2
[M]+ 169.05559142 131.0
[M]- 169.05668858 131.0
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

No patent data available for this compound.