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]+ 173.110696 134.7
[M+Na]+ 195.092638 139.2
[M-H]- 171.096144 135.9
[M+NH4]+ 190.137243 154.5
[M+K]+ 211.066578 136.5
[M+H-H2O]+ 155.100680 128.4
[M+HCOO]- 217.101621 146.1
[M+CH3COO]- 231.117271 145.6
[M+Na-2H]- 193.078086 137.5
[M]+ 172.10287142 127.5
[M]- 172.10396858 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.