CID 528363

2,4,6-trimethyl-1,3,5-thiadiazinane

Structural Information

Molecular Formula
C6H14N2S
SMILES
CC1NC(SC(N1)C)C
InChI
InChI=1S/C6H14N2S/c1-4-7-5(2)9-6(3)8-4/h4-8H,1-3H3
InChIKey
PLCVUJTXVJDGBN-UHFFFAOYSA-N
Compound name
2,4,6-trimethyl-1,3,5-thiadiazinane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

146.08777 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 147.09505 131.6
[M+Na]+ 169.07699 142.0
[M+NH4]+ 164.12159 140.1
[M+K]+ 185.05093 134.6
[M-H]- 145.08049 132.1
[M+Na-2H]- 167.06244 134.8
[M]+ 146.08722 133.5
[M]- 146.08832 133.5
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe