CID 853898

6-amino-1-isobutyluracil

Structural Information

Molecular Formula
C8H13N3O2
SMILES
CC(C)CN1C(=CC(=O)NC1=O)N
InChI
InChI=1S/C8H13N3O2/c1-5(2)4-11-6(9)3-7(12)10-8(11)13/h3,5H,4,9H2,1-2H3,(H,10,12,13)
InChIKey
QTAYOSNLQPIPFG-UHFFFAOYSA-N
Compound name
6-amino-1-(2-methylpropyl)pyrimidine-2,4-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

58
Patents

183.10077 Da
Monoisotopic Mass

0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 184.108046 138.3
[M+Na]+ 206.089988 148.0
[M-H]- 182.093494 138.4
[M+NH4]+ 201.134593 155.0
[M+K]+ 222.063928 145.0
[M+H-H2O]+ 166.098030 131.6
[M+HCOO]- 228.098971 159.3
[M+CH3COO]- 242.114621 182.3
[M+Na-2H]- 204.075436 142.4
[M]+ 183.10022142 137.3
[M]- 183.10131858 137.3
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