CID 54593558

3-{thieno[3,2-b]pyridin-6-yl}propan-1-ol hydrochloride

Structural Information

Molecular Formula
C10H11NOS
SMILES
C1=CSC2=C1N=CC(=C2)CCCO
InChI
InChI=1S/C10H11NOS/c12-4-1-2-8-6-10-9(11-7-8)3-5-13-10/h3,5-7,12H,1-2,4H2
InChIKey
CTFOYLLHMLYRQT-UHFFFAOYSA-N
Compound name
3-thieno[3,2-b]pyridin-6-ylpropan-1-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

193.05614 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 194.063416 138.1
[M+Na]+ 216.045358 148.7
[M-H]- 192.048864 140.9
[M+NH4]+ 211.089963 159.7
[M+K]+ 232.019298 144.6
[M+H-H2O]+ 176.053400 132.7
[M+HCOO]- 238.054341 157.0
[M+CH3COO]- 252.069991 152.0
[M+Na-2H]- 214.030806 143.1
[M]+ 193.05559142 142.4
[M]- 193.05668858 142.4
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.