CID 49758449

1215071-65-0

Structural Information

Molecular Formula
C7H8N2O
SMILES
C1CC1C2=CC=NC(=O)N2
InChI
InChI=1S/C7H8N2O/c10-7-8-4-3-6(9-7)5-1-2-5/h3-5H,1-2H2,(H,8,9,10)
InChIKey
WWOZFDORBBUYAL-UHFFFAOYSA-N
Compound name
6-cyclopropyl-1H-pyrimidin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

25
Patents

136.06366 Da
Monoisotopic Mass

-1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 137.07094 131.1
[M+Na]+ 159.05288 142.2
[M-H]- 135.05638 135.1
[M+NH4]+ 154.09748 144.9
[M+K]+ 175.02682 138.1
[M+H-H2O]+ 119.06092 123.6
[M+HCOO]- 181.06186 153.3
[M+CH3COO]- 195.07751 172.7
[M+Na-2H]- 157.03833 139.1
[M]+ 136.06311 131.5
[M]- 136.06421 131.5
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