CID 12782760

5-sulfanylpyridine-3-carboxylic acid hydrochloride

Structural Information

Molecular Formula
C6H5NO2S
SMILES
C1=C(C=NC=C1S)C(=O)O
InChI
InChI=1S/C6H5NO2S/c8-6(9)4-1-5(10)3-7-2-4/h1-3,10H,(H,8,9)
InChIKey
QOXTYYLFVZPAKO-UHFFFAOYSA-N
Compound name
5-sulfanylpyridine-3-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

20
Patents

155.0041 Da
Monoisotopic Mass

0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 156.01138 126.9
[M+Na]+ 177.99332 136.2
[M-H]- 153.99682 128.7
[M+NH4]+ 173.03792 146.6
[M+K]+ 193.96726 133.8
[M+H-H2O]+ 138.00136 121.3
[M+HCOO]- 200.00230 144.0
[M+CH3COO]- 214.01795 171.2
[M+Na-2H]- 175.97877 131.0
[M]+ 155.00355 128.4
[M]- 155.00465 128.4
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

patents stripe