CID 135909901

2-ethyl-4-methyl-6-oxo-1,6-dihydropyrimidine-5-carbonitrile

Structural Information

Molecular Formula
C8H9N3O
SMILES
CCC1=NC(=C(C(=O)N1)C#N)C
InChI
InChI=1S/C8H9N3O/c1-3-7-10-5(2)6(4-9)8(12)11-7/h3H2,1-2H3,(H,10,11,12)
InChIKey
BXMVTPFQHXEIRM-UHFFFAOYSA-N
Compound name
2-ethyl-4-methyl-6-oxo-1H-pyrimidine-5-carbonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

163.07455 Da
Monoisotopic Mass

0.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 164.081826 131.4
[M+Na]+ 186.063768 142.9
[M-H]- 162.067274 131.3
[M+NH4]+ 181.108373 147.4
[M+K]+ 202.037708 140.0
[M+H-H2O]+ 146.071810 118.2
[M+HCOO]- 208.072751 149.0
[M+CH3COO]- 222.088401 189.6
[M+Na-2H]- 184.049216 137.1
[M]+ 163.07400142 126.6
[M]- 163.07509858 126.6
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

No patent data available for this compound.