CID 116087

Uracil, 6-amino-1-methyl-3-propyl-

Structural Information

Molecular Formula
C8H13N3O2
SMILES
CCCN1C(=O)C=C(N(C1=O)C)N
InChI
InChI=1S/C8H13N3O2/c1-3-4-11-7(12)5-6(9)10(2)8(11)13/h5H,3-4,9H2,1-2H3
InChIKey
OIHHBESCFLISMR-UHFFFAOYSA-N
Compound name
6-amino-1-methyl-3-propylpyrimidine-2,4-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

111
Patents

183.10077 Da
Monoisotopic Mass

-0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 184.108046 137.2
[M+Na]+ 206.089988 148.5
[M-H]- 182.093494 138.9
[M+NH4]+ 201.134593 154.9
[M+K]+ 222.063928 145.8
[M+H-H2O]+ 166.098030 130.3
[M+HCOO]- 228.098971 160.6
[M+CH3COO]- 242.114621 185.1
[M+Na-2H]- 204.075436 142.3
[M]+ 183.10022142 139.0
[M]- 183.10131858 139.0
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