CID 14254906

116118-99-1

Structural Information

Molecular Formula
C8H9NO2S
SMILES
C1CNCC2=C1SC(=C2)C(=O)O
InChI
InChI=1S/C8H9NO2S/c10-8(11)7-3-5-4-9-2-1-6(5)12-7/h3,9H,1-2,4H2,(H,10,11)
InChIKey
OEYJTWUFGQRSOD-UHFFFAOYSA-N
Compound name
4,5,6,7-tetrahydrothieno[3,2-c]pyridine-2-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

72
Patents

183.0354 Da
Monoisotopic Mass

-1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 184.04268 136.6
[M+Na]+ 206.02462 144.2
[M-H]- 182.02812 137.1
[M+NH4]+ 201.06922 157.2
[M+K]+ 221.99856 140.8
[M+H-H2O]+ 166.03266 131.8
[M+HCOO]- 228.03360 149.6
[M+CH3COO]- 242.04925 172.9
[M+Na-2H]- 204.01007 138.4
[M]+ 183.03485 134.3
[M]- 183.03595 134.3
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