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]+ 225.06923 148.4
[M+Na]+ 247.05117 155.7
[M-H]- 223.05467 151.3
[M+NH4]+ 242.09577 165.5
[M+K]+ 263.02511 152.5
[M+H-H2O]+ 207.05921 141.3
[M+HCOO]- 269.06015 162.7
[M+CH3COO]- 283.07580 181.7
[M+Na-2H]- 245.03662 148.6
[M]+ 224.06140 147.5
[M]- 224.06250 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.