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]+ 234.10594 151.5
[M+Na]+ 256.08788 161.3
[M-H]- 232.09138 154.7
[M+NH4]+ 251.13248 165.9
[M+K]+ 272.06182 156.5
[M+H-H2O]+ 216.09592 137.3
[M+HCOO]- 278.09686 161.7
[M+CH3COO]- 292.11251 161.6
[M+Na-2H]- 254.07333 152.6
[M]+ 233.09811 145.1
[M]- 233.09921 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