CID 3038099

2(1h)-pyrimidinethione, 3,4-dihydro-1-propyl-4,4,6-trimethyl-

Structural Information

Molecular Formula
C10H18N2S
SMILES
CCCN1C(=CC(NC1=S)(C)C)C
InChI
InChI=1S/C10H18N2S/c1-5-6-12-8(2)7-10(3,4)11-9(12)13/h7H,5-6H2,1-4H3,(H,11,13)
InChIKey
NLYVRFUYRUHARD-UHFFFAOYSA-N
Compound name
4,6,6-trimethyl-3-propyl-1H-pyrimidine-2-thione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

198.11906 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 199.12634 142.2
[M+Na]+ 221.10828 150.9
[M-H]- 197.11178 142.0
[M+NH4]+ 216.15288 161.6
[M+K]+ 237.08222 146.9
[M+H-H2O]+ 181.11632 136.9
[M+HCOO]- 243.11726 154.4
[M+CH3COO]- 257.13291 183.7
[M+Na-2H]- 219.09373 143.5
[M]+ 198.11851 141.8
[M]- 198.11961 141.8
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.