CID 3058691

3-pyridinecarbonitrile, 2,6-dimethyl-4-(4-thiomorpholinyl)-, monohydrochloride

Structural Information

Molecular Formula
C12H15N3S
SMILES
CC1=CC(=C(C(=N1)C)C#N)N2CCSCC2
InChI
InChI=1S/C12H15N3S/c1-9-7-12(11(8-13)10(2)14-9)15-3-5-16-6-4-15/h7H,3-6H2,1-2H3
InChIKey
WVZJRRPIMAMIAL-UHFFFAOYSA-N
Compound name
2,6-dimethyl-4-thiomorpholin-4-ylpyridine-3-carbonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

233.09866 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 234.105936 151.5
[M+Na]+ 256.087878 161.3
[M-H]- 232.091384 154.7
[M+NH4]+ 251.132483 165.9
[M+K]+ 272.061818 156.5
[M+H-H2O]+ 216.095920 137.3
[M+HCOO]- 278.096861 161.7
[M+CH3COO]- 292.112511 161.6
[M+Na-2H]- 254.073326 152.6
[M]+ 233.09811142 145.1
[M]- 233.09920858 145.1
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