CID 78567

1-allyl-6-aminouracil

Structural Information

Molecular Formula
C7H9N3O2
SMILES
C=CCN1C(=CC(=O)NC1=O)N
InChI
InChI=1S/C7H9N3O2/c1-2-3-10-5(8)4-6(11)9-7(10)12/h2,4H,1,3,8H2,(H,9,11,12)
InChIKey
AKFKDSLOOZBRQP-UHFFFAOYSA-N
Compound name
6-amino-1-prop-2-enylpyrimidine-2,4-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

27
Patents

167.06947 Da
Monoisotopic Mass

-0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 168.076746 132.4
[M+Na]+ 190.058688 143.1
[M-H]- 166.062194 132.5
[M+NH4]+ 185.103293 149.7
[M+K]+ 206.032628 139.1
[M+H-H2O]+ 150.066730 125.8
[M+HCOO]- 212.067671 154.9
[M+CH3COO]- 226.083321 177.5
[M+Na-2H]- 188.044136 138.2
[M]+ 167.06892142 130.9
[M]- 167.07001858 130.9
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