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

25
Patents

167.06947 Da
Monoisotopic Mass

-0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 168.07675 132.4
[M+Na]+ 190.05869 143.1
[M-H]- 166.06219 132.5
[M+NH4]+ 185.10329 149.7
[M+K]+ 206.03263 139.1
[M+H-H2O]+ 150.06673 125.8
[M+HCOO]- 212.06767 154.9
[M+CH3COO]- 226.08332 177.5
[M+Na-2H]- 188.04414 138.2
[M]+ 167.06892 130.9
[M]- 167.07002 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