CID 137939908

166516-84-3

Structural Information

Molecular Formula
C10H12N2O2S
SMILES
COC(=O)C1CSC(N1)C2=CC=NC=C2
InChI
InChI=1S/C10H12N2O2S/c1-14-10(13)8-6-15-9(12-8)7-2-4-11-5-3-7/h2-5,8-9,12H,6H2,1H3
InChIKey
NKIYNOMKPXBNNN-UHFFFAOYSA-N
Compound name
methyl 2-pyridin-4-yl-1,3-thiazolidine-4-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

224.06195 Da
Monoisotopic Mass

0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 225.069226 148.4
[M+Na]+ 247.051168 155.7
[M-H]- 223.054674 151.3
[M+NH4]+ 242.095773 165.5
[M+K]+ 263.025108 152.5
[M+H-H2O]+ 207.059210 141.3
[M+HCOO]- 269.060151 162.7
[M+CH3COO]- 283.075801 181.7
[M+Na-2H]- 245.036616 148.6
[M]+ 224.06140142 147.5
[M]- 224.06249858 147.5
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

No patent data available for this compound.