CID 27947

2(1h)-pyrimidinethione, tetrahydro-1,3-dimethyl-

Structural Information

Molecular Formula
C6H12N2S
SMILES
CN1CCCN(C1=S)C
InChI
InChI=1S/C6H12N2S/c1-7-4-3-5-8(2)6(7)9/h3-5H2,1-2H3
InChIKey
JILASYJQVXOLSP-UHFFFAOYSA-N
Compound name
1,3-dimethyl-1,3-diazinane-2-thione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

16
Patents

144.07211 Da
Monoisotopic Mass

0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 145.07939 131.1
[M+Na]+ 167.06133 142.7
[M+NH4]+ 162.10593 140.0
[M+K]+ 183.03527 134.5
[M-H]- 143.06483 132.5
[M+Na-2H]- 165.04678 135.4
[M]+ 144.07156 133.5
[M]- 144.07266 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