CID 3036432

7038-74-6

Structural Information

Molecular Formula
C7H8N2OS
SMILES
C1CC1C2=CC(=O)NC(=S)N2
InChI
InChI=1S/C7H8N2OS/c10-6-3-5(4-1-2-4)8-7(11)9-6/h3-4H,1-2H2,(H2,8,9,10,11)
InChIKey
GLUYITABZSFAIA-UHFFFAOYSA-N
Compound name
6-cyclopropyl-2-sulfanylidene-1H-pyrimidin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

14
Patents

168.03574 Da
Monoisotopic Mass

0.2
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

literature stripe

Patent stripe

patents stripe