CID 5068962

5-(2-hydroxybutan-2-yl)-1,3,5-triazinane-2-thione

Structural Information

Molecular Formula
C7H15N3OS
SMILES
CCC(C)(N1CNC(=S)NC1)O
InChI
InChI=1S/C7H15N3OS/c1-3-7(2,11)10-4-8-6(12)9-5-10/h11H,3-5H2,1-2H3,(H2,8,9,12)
InChIKey
XXNXAVVVTBJDSW-UHFFFAOYSA-N
Compound name
5-(2-hydroxybutan-2-yl)-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

0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 190.10086 143.9
[M+Na]+ 212.08280 152.1
[M+NH4]+ 207.12740 149.9
[M+K]+ 228.05674 146.6
[M-H]- 188.08630 141.5
[M+Na-2H]- 210.06825 145.4
[M]+ 189.09303 144.5
[M]- 189.09413 144.5
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.