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]+ 170.06342 133.4
[M+Na]+ 192.04536 141.3
[M-H]- 168.04886 133.9
[M+NH4]+ 187.08996 154.9
[M+K]+ 208.01930 137.4
[M+H-H2O]+ 152.05340 128.6
[M+HCOO]- 214.05434 147.1
[M+CH3COO]- 228.06999 145.8
[M+Na-2H]- 190.03081 136.2
[M]+ 169.05559 131.0
[M]- 169.05669 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.