CID 18525849

1-[2-(thiomorpholin-4-yl)pyridin-4-yl]methanamine

Structural Information

Molecular Formula
C10H15N3S
SMILES
C1CSCCN1C2=NC=CC(=C2)CN
InChI
InChI=1S/C10H15N3S/c11-8-9-1-2-12-10(7-9)13-3-5-14-6-4-13/h1-2,7H,3-6,8,11H2
InChIKey
FFHDQWVSXSKWLF-UHFFFAOYSA-N
Compound name
(2-thiomorpholin-4-yl-4-pyridinyl)methanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

209.09866 Da
Monoisotopic Mass

0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 210.105936 144.3
[M+Na]+ 232.087878 150.3
[M-H]- 208.091384 147.1
[M+NH4]+ 227.132483 160.3
[M+K]+ 248.061818 146.1
[M+H-H2O]+ 192.095920 136.1
[M+HCOO]- 254.096861 158.5
[M+CH3COO]- 268.112511 155.2
[M+Na-2H]- 230.073326 147.3
[M]+ 209.09811142 139.7
[M]- 209.09920858 139.7
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.