CID 12261431

1-ethyl-2,4-dioxo-1,2,3,4-tetrahydropyrimidine-5-carbonitrile

Structural Information

Molecular Formula
C7H7N3O2
SMILES
CCN1C=C(C(=O)NC1=O)C#N
InChI
InChI=1S/C7H7N3O2/c1-2-10-4-5(3-8)6(11)9-7(10)12/h4H,2H2,1H3,(H,9,11,12)
InChIKey
NXKKERVRGXKVFU-UHFFFAOYSA-N
Compound name
1-ethyl-2,4-dioxopyrimidine-5-carbonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

165.05383 Da
Monoisotopic Mass

-0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 166.061106 130.1
[M+Na]+ 188.043048 142.0
[M-H]- 164.046554 130.0
[M+NH4]+ 183.087653 145.8
[M+K]+ 204.016988 139.3
[M+H-H2O]+ 148.051090 116.8
[M+HCOO]- 210.052031 148.2
[M+CH3COO]- 224.067681 188.1
[M+Na-2H]- 186.028496 136.1
[M]+ 165.05328142 125.5
[M]- 165.05437858 125.5
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