CID 349883

3-cyclohexyl-2,4-dioxo-1h-pyrimidine-5-carbonitrile

Structural Information

Molecular Formula
C11H13N3O2
SMILES
C1CCC(CC1)N2C(=O)C(=CNC2=O)C#N
InChI
InChI=1S/C11H13N3O2/c12-6-8-7-13-11(16)14(10(8)15)9-4-2-1-3-5-9/h7,9H,1-5H2,(H,13,16)
InChIKey
JVDPGAKKSKKQRE-UHFFFAOYSA-N
Compound name
3-cyclohexyl-2,4-dioxo-1H-pyrimidine-5-carbonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

219.10077 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 220.10805 146.9
[M+Na]+ 242.08999 156.3
[M-H]- 218.09349 148.3
[M+NH4]+ 237.13459 160.0
[M+K]+ 258.06393 151.2
[M+H-H2O]+ 202.09803 132.2
[M+HCOO]- 264.09897 161.2
[M+CH3COO]- 278.11462 196.1
[M+Na-2H]- 240.07544 150.5
[M]+ 219.10022 137.5
[M]- 219.10132 137.5
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

No patent data available for this compound.