CID 12356156

52767-84-7

Structural Information

Molecular Formula
C7H10N2S
SMILES
CCCC1=CNC(=S)N=C1
InChI
InChI=1S/C7H10N2S/c1-2-3-6-4-8-7(10)9-5-6/h4-5H,2-3H2,1H3,(H,8,9,10)
InChIKey
YZFGTZRDMRKBBU-UHFFFAOYSA-N
Compound name
5-propyl-1H-pyrimidine-2-thione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

10
Patents

154.05647 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 155.06375 128.9
[M+Na]+ 177.04569 138.5
[M-H]- 153.04919 129.0
[M+NH4]+ 172.09029 147.7
[M+K]+ 193.01963 134.3
[M+H-H2O]+ 137.05373 122.7
[M+HCOO]- 199.05467 145.0
[M+CH3COO]- 213.07032 172.2
[M+Na-2H]- 175.03114 133.5
[M]+ 154.05592 129.1
[M]- 154.05702 129.1
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