CID 16770322

2-{4h,5h,6h,7h-thieno[3,2-c]pyridin-5-yl}acetic acid hydrochloride

Structural Information

Molecular Formula
C9H11NO2S
SMILES
C1CN(CC2=C1SC=C2)CC(=O)O
InChI
InChI=1S/C9H11NO2S/c11-9(12)6-10-3-1-8-7(5-10)2-4-13-8/h2,4H,1,3,5-6H2,(H,11,12)
InChIKey
NDXRNFGHRDRBGC-UHFFFAOYSA-N
Compound name
2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)acetic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

17
Patents

197.05106 Da
Monoisotopic Mass

-1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 198.05834 140.9
[M+Na]+ 220.04028 148.5
[M-H]- 196.04378 142.7
[M+NH4]+ 215.08488 161.7
[M+K]+ 236.01422 145.7
[M+H-H2O]+ 180.04832 135.6
[M+HCOO]- 242.04926 155.0
[M+CH3COO]- 256.06491 178.4
[M+Na-2H]- 218.02573 142.5
[M]+ 197.05051 140.7
[M]- 197.05161 140.7
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

patents stripe