CID 3045891

61280-30-6

Structural Information

Molecular Formula
C10H15N3O2
SMILES
C1CCCN(CC1)C2=NC(=O)CC(=O)N2
InChI
InChI=1S/C10H15N3O2/c14-8-7-9(15)12-10(11-8)13-5-3-1-2-4-6-13/h1-7H2,(H,11,12,14,15)
InChIKey
IJOREYLIDYPKAV-UHFFFAOYSA-N
Compound name
2-(azepan-1-yl)-1H-pyrimidine-4,6-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

209.11642 Da
Monoisotopic Mass

0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 210.12370 146.1
[M+Na]+ 232.10564 149.9
[M-H]- 208.10914 147.5
[M+NH4]+ 227.15024 158.6
[M+K]+ 248.07958 151.1
[M+H-H2O]+ 192.11368 136.3
[M+HCOO]- 254.11462 159.4
[M+CH3COO]- 268.13027 183.3
[M+Na-2H]- 230.09109 148.9
[M]+ 209.11587 135.7
[M]- 209.11697 135.7
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

No patent data available for this compound.