CID 1715622

5-octyl-1,3,5-triazinane-2-thione

Structural Information

Molecular Formula
C11H23N3S
SMILES
CCCCCCCCN1CNC(=S)NC1
InChI
InChI=1S/C11H23N3S/c1-2-3-4-5-6-7-8-14-9-12-11(15)13-10-14/h2-10H2,1H3,(H2,12,13,15)
InChIKey
VPZSFUAFZXTUTK-UHFFFAOYSA-N
Compound name
5-octyl-1,3,5-triazinane-2-thione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

229.16127 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 230.16855 156.7
[M+Na]+ 252.15049 165.5
[M+NH4]+ 247.19509 163.2
[M+K]+ 268.12443 156.9
[M-H]- 228.15399 155.8
[M+Na-2H]- 250.13594 158.3
[M]+ 229.16072 157.8
[M]- 229.16182 157.8
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.