CID 12276309

59698-21-4

Structural Information

Molecular Formula
C7H8N2OS
SMILES
C1CC1C2=CNC(=S)NC2=O
InChI
InChI=1S/C7H8N2OS/c10-6-5(4-1-2-4)3-8-7(11)9-6/h3-4H,1-2H2,(H2,8,9,10,11)
InChIKey
QDZCJOQOJDJXCQ-UHFFFAOYSA-N
Compound name
5-cyclopropyl-2-sulfanylidene-1H-pyrimidin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

17
Patents

168.03574 Da
Monoisotopic Mass

0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 169.04302 136.5
[M+Na]+ 191.02496 150.5
[M+NH4]+ 186.06956 144.8
[M+K]+ 206.99890 144.2
[M-H]- 167.02846 144.7
[M+Na-2H]- 189.01041 144.8
[M]+ 168.03519 142.2
[M]- 168.03629 142.2
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

patents stripe