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

14
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

literature stripe

Patent stripe

patents stripe