CID 2525988

6746-27-6

Structural Information

Molecular Formula
C4H9N3S
SMILES
CN1CNC(=S)NC1
InChI
InChI=1S/C4H9N3S/c1-7-2-5-4(8)6-3-7/h2-3H2,1H3,(H2,5,6,8)
InChIKey
WMTPKWUDOPDAIS-UHFFFAOYSA-N
Compound name
5-methyl-1,3,5-triazinane-2-thione
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

26
Patents

131.05171 Da
Monoisotopic Mass

0.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 132.05899 126.9
[M+Na]+ 154.04093 134.2
[M-H]- 130.04443 123.4
[M+NH4]+ 149.08553 144.1
[M+K]+ 170.01487 130.5
[M+H-H2O]+ 114.04897 120.6
[M+HCOO]- 176.04991 136.8
[M+CH3COO]- 190.06556 164.5
[M+Na-2H]- 152.02638 129.3
[M]+ 131.05116 120.4
[M]- 131.05226 120.4
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.