CID 24699209

3-amino-1-{4h,5h,6h,7h-thieno[3,2-c]pyridin-5-yl}propan-1-one hydrochloride

Structural Information

Molecular Formula
C10H14N2OS
SMILES
C1CN(CC2=C1SC=C2)C(=O)CCN
InChI
InChI=1S/C10H14N2OS/c11-4-1-10(13)12-5-2-9-8(7-12)3-6-14-9/h3,6H,1-2,4-5,7,11H2
InChIKey
WVMAXPGOSKVCLR-UHFFFAOYSA-N
Compound name
3-amino-1-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)propan-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

210.08269 Da
Monoisotopic Mass

0.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 211.08997 145.5
[M+Na]+ 233.07191 152.3
[M-H]- 209.07541 147.8
[M+NH4]+ 228.11651 165.9
[M+K]+ 249.04585 149.2
[M+H-H2O]+ 193.07995 139.4
[M+HCOO]- 255.08089 160.9
[M+CH3COO]- 269.09654 185.5
[M+Na-2H]- 231.05736 146.5
[M]+ 210.08214 144.2
[M]- 210.08324 144.2
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.