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

24
Patents

155.0041 Da
Monoisotopic Mass

0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 156.011376 126.9
[M+Na]+ 177.993318 136.2
[M-H]- 153.996824 128.7
[M+NH4]+ 173.037923 146.6
[M+K]+ 193.967258 133.8
[M+H-H2O]+ 138.001360 121.3
[M+HCOO]- 200.002301 144.0
[M+CH3COO]- 214.017951 171.2
[M+Na-2H]- 175.978766 131.0
[M]+ 155.00355142 128.4
[M]- 155.00464858 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