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]+ 190.10086 142.5
[M+Na]+ 212.08280 148.3
[M-H]- 188.08630 138.4
[M+NH4]+ 207.12740 157.2
[M+K]+ 228.05674 144.3
[M+H-H2O]+ 172.09084 135.4
[M+HCOO]- 234.09178 151.6
[M+CH3COO]- 248.10743 175.6
[M+Na-2H]- 210.06825 143.5
[M]+ 189.09303 138.4
[M]- 189.09413 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.