CID 2806745

200630-24-6

Structural Information

Molecular Formula
C7H15N3OS
SMILES
COCCCN1CNC(=S)NC1
InChI
InChI=1S/C7H15N3OS/c1-11-4-2-3-10-5-8-7(12)9-6-10/h2-6H2,1H3,(H2,8,9,12)
InChIKey
JMOCDRJLKLSISJ-UHFFFAOYSA-N
Compound name
5-(3-methoxypropyl)-1,3,5-triazinane-2-thione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

189.09358 Da
Monoisotopic Mass

0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 190.100856 142.5
[M+Na]+ 212.082798 148.3
[M-H]- 188.086304 138.4
[M+NH4]+ 207.127403 157.2
[M+K]+ 228.056738 144.3
[M+H-H2O]+ 172.090840 135.4
[M+HCOO]- 234.091781 151.6
[M+CH3COO]- 248.107431 175.6
[M+Na-2H]- 210.068246 143.5
[M]+ 189.09303142 138.4
[M]- 189.09412858 138.4
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.