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

17
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 128.8
[M+Na]+ 167.06133 136.9
[M-H]- 143.06483 129.7
[M+NH4]+ 162.10593 148.6
[M+K]+ 183.03527 134.8
[M+H-H2O]+ 127.06937 122.6
[M+HCOO]- 189.07031 142.3
[M+CH3COO]- 203.08596 174.0
[M+Na-2H]- 165.04678 130.6
[M]+ 144.07156 126.6
[M]- 144.07266 126.6
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