CID 82411746

Octahydropyrido[2,1-c]thiomorpholin-9-amine

Structural Information

Molecular Formula
C8H16N2S
SMILES
C1CC(C2CSCCN2C1)N
InChI
InChI=1S/C8H16N2S/c9-7-2-1-3-10-4-5-11-6-8(7)10/h7-8H,1-6,9H2
InChIKey
UWZBGYSOLLBLIX-UHFFFAOYSA-N
Compound name
1,3,4,6,7,8,9,9a-octahydropyrido[2,1-c][1,4]thiazin-9-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

172.10342 Da
Monoisotopic Mass

0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 173.11070 134.7
[M+Na]+ 195.09264 139.2
[M-H]- 171.09614 135.9
[M+NH4]+ 190.13724 154.5
[M+K]+ 211.06658 136.5
[M+H-H2O]+ 155.10068 128.4
[M+HCOO]- 217.10162 146.1
[M+CH3COO]- 231.11727 145.6
[M+Na-2H]- 193.07809 137.5
[M]+ 172.10287 127.5
[M]- 172.10397 127.5
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.