CID 104562

6-amino-1-propyluracil

Structural Information

Molecular Formula
C7H11N3O2
SMILES
CCCN1C(=CC(=O)NC1=O)N
InChI
InChI=1S/C7H11N3O2/c1-2-3-10-5(8)4-6(11)9-7(10)12/h4H,2-3,8H2,1H3,(H,9,11,12)
InChIKey
KTWOUYVBZDZRNV-UHFFFAOYSA-N
Compound name
6-amino-1-propylpyrimidine-2,4-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

134
Patents

169.08513 Da
Monoisotopic Mass

-0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 170.09241 133.7
[M+Na]+ 192.07435 144.0
[M-H]- 168.07785 133.8
[M+NH4]+ 187.11895 150.9
[M+K]+ 208.04829 140.7
[M+H-H2O]+ 152.08239 127.0
[M+HCOO]- 214.08333 155.9
[M+CH3COO]- 228.09898 178.4
[M+Na-2H]- 190.05980 139.5
[M]+ 169.08458 132.9
[M]- 169.08568 132.9
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe