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]+ 164.08183 131.4
[M+Na]+ 186.06377 142.9
[M-H]- 162.06727 131.3
[M+NH4]+ 181.10837 147.4
[M+K]+ 202.03771 140.0
[M+H-H2O]+ 146.07181 118.2
[M+HCOO]- 208.07275 149.0
[M+CH3COO]- 222.08840 189.6
[M+Na-2H]- 184.04922 137.1
[M]+ 163.07400 126.6
[M]- 163.07510 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.