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]+ 194.06342 138.1
[M+Na]+ 216.04536 148.7
[M-H]- 192.04886 140.9
[M+NH4]+ 211.08996 159.7
[M+K]+ 232.01930 144.6
[M+H-H2O]+ 176.05340 132.7
[M+HCOO]- 238.05434 157.0
[M+CH3COO]- 252.06999 152.0
[M+Na-2H]- 214.03081 143.1
[M]+ 193.05559 142.4
[M]- 193.05669 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.