CID 137935655

2-amino-3-(2-sulfanylpyridin-4-yl)propanoic acid hydrochloride

Structural Information

Molecular Formula
C8H10N2O2S
SMILES
C1=CNC(=S)C=C1CC(C(=O)O)N
InChI
InChI=1S/C8H10N2O2S/c9-6(8(11)12)3-5-1-2-10-7(13)4-5/h1-2,4,6H,3,9H2,(H,10,13)(H,11,12)
InChIKey
LLVZHJMEEQCCJL-UHFFFAOYSA-N
Compound name
2-amino-3-(2-sulfanylidene-1H-pyridin-4-yl)propanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

9
Patents

198.0463 Da
Monoisotopic Mass

-3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 199.05358 140.5
[M+Na]+ 221.03552 147.5
[M-H]- 197.03902 139.8
[M+NH4]+ 216.08012 156.9
[M+K]+ 237.00946 143.0
[M+H-H2O]+ 181.04356 134.4
[M+HCOO]- 243.04450 154.8
[M+CH3COO]- 257.06015 179.3
[M+Na-2H]- 219.02097 141.4
[M]+ 198.04575 137.7
[M]- 198.04685 137.7
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