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

13
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 132.8
[M+Na]+ 191.02496 144.5
[M-H]- 167.02846 135.8
[M+NH4]+ 186.06956 145.5
[M+K]+ 206.99890 138.0
[M+H-H2O]+ 151.03300 126.1
[M+HCOO]- 213.03394 148.6
[M+CH3COO]- 227.04959 145.2
[M+Na-2H]- 189.01041 136.4
[M]+ 168.03519 133.2
[M]- 168.03629 133.2
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