CID 125449199

1-cyclopropyl-6-methyl-2,4-dioxo-1,2,3,4-tetrahydropyrimidine-5-carbonitrile

Structural Information

Molecular Formula
C9H9N3O2
SMILES
CC1=C(C(=O)NC(=O)N1C2CC2)C#N
InChI
InChI=1S/C9H9N3O2/c1-5-7(4-10)8(13)11-9(14)12(5)6-2-3-6/h6H,2-3H2,1H3,(H,11,13,14)
InChIKey
SJOPQKKTPUJSKS-UHFFFAOYSA-N
Compound name
1-cyclopropyl-6-methyl-2,4-dioxopyrimidine-5-carbonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

191.06947 Da
Monoisotopic Mass

0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 192.07675 141.1
[M+Na]+ 214.05869 158.8
[M-H]- 190.06219 146.3
[M+NH4]+ 209.10329 153.5
[M+K]+ 230.03263 151.0
[M+H-H2O]+ 174.06673 130.0
[M+HCOO]- 236.06767 160.7
[M+CH3COO]- 250.08332 196.0
[M+Na-2H]- 212.04414 147.0
[M]+ 191.06892 140.3
[M]- 191.07002 140.3
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.