CID 3087744

3-(5-methyl-2-thiazolidinyl)pyridine

Structural Information

Molecular Formula
C9H12N2S
SMILES
CC1CNC(S1)C2=CN=CC=C2
InChI
InChI=1S/C9H12N2S/c1-7-5-11-9(12-7)8-3-2-4-10-6-8/h2-4,6-7,9,11H,5H2,1H3
InChIKey
MVBRBSRJVFJQBD-UHFFFAOYSA-N
Compound name
5-methyl-2-pyridin-3-yl-1,3-thiazolidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

180.07211 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 181.07939 137.3
[M+Na]+ 203.06133 145.4
[M-H]- 179.06483 140.2
[M+NH4]+ 198.10593 156.5
[M+K]+ 219.03527 141.6
[M+H-H2O]+ 163.06937 130.4
[M+HCOO]- 225.07031 152.3
[M+CH3COO]- 239.08596 149.7
[M+Na-2H]- 201.04678 138.8
[M]+ 180.07156 134.6
[M]- 180.07266 134.6
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.