CID 3087744

116113-07-6

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]+ 181.079386 137.3
[M+Na]+ 203.061328 145.4
[M-H]- 179.064834 140.2
[M+NH4]+ 198.105933 156.5
[M+K]+ 219.035268 141.6
[M+H-H2O]+ 163.069370 130.4
[M+HCOO]- 225.070311 152.3
[M+CH3COO]- 239.085961 149.7
[M+Na-2H]- 201.046776 138.8
[M]+ 180.07156142 134.6
[M]- 180.07265858 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.