CID 98575

5-isopropyluracil

Structural Information

Molecular Formula
C7H10N2O2
SMILES
CC(C)C1=CNC(=O)NC1=O
InChI
InChI=1S/C7H10N2O2/c1-4(2)5-3-8-7(11)9-6(5)10/h3-4H,1-2H3,(H2,8,9,10,11)
InChIKey
NWNKIJNFNJCAHN-UHFFFAOYSA-N
Compound name
5-propan-2-yl-1H-pyrimidine-2,4-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

299
Patents

154.07423 Da
Monoisotopic Mass

0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 155.081506 129.6
[M+Na]+ 177.063448 139.2
[M-H]- 153.066954 128.6
[M+NH4]+ 172.108053 147.0
[M+K]+ 193.037388 135.9
[M+H-H2O]+ 137.071490 123.4
[M+HCOO]- 199.072431 149.0
[M+CH3COO]- 213.088081 171.1
[M+Na-2H]- 175.048896 135.2
[M]+ 154.07368142 127.6
[M]- 154.07477858 127.6
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