CID 135502773

103980-68-3

Structural Information

Molecular Formula
C8H12N2O
SMILES
CCCC1=C(N=CNC1=O)C
InChI
InChI=1S/C8H12N2O/c1-3-4-7-6(2)9-5-10-8(7)11/h5H,3-4H2,1-2H3,(H,9,10,11)
InChIKey
UAJIFHDSCLQUON-UHFFFAOYSA-N
Compound name
4-methyl-5-propyl-1H-pyrimidin-6-one
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

22
Patents

152.09496 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 153.10224 130.9
[M+Na]+ 175.08418 140.7
[M-H]- 151.08768 131.0
[M+NH4]+ 170.12878 149.4
[M+K]+ 191.05812 137.7
[M+H-H2O]+ 135.09222 124.4
[M+HCOO]- 197.09316 152.1
[M+CH3COO]- 211.10881 174.5
[M+Na-2H]- 173.06963 137.9
[M]+ 152.09441 131.2
[M]- 152.09551 131.2
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