CID 165767018

2308566-08-5

Structural Information

Molecular Formula
C9H13N3O3
SMILES
CC(C)(C)OC(=O)NC1=CN=CNC1=O
InChI
InChI=1S/C9H13N3O3/c1-9(2,3)15-8(14)12-6-4-10-5-11-7(6)13/h4-5H,1-3H3,(H,12,14)(H,10,11,13)
InChIKey
QUWIKJPWAJGHNL-UHFFFAOYSA-N
Compound name
tert-butyl N-(6-oxo-1H-pyrimidin-5-yl)carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

211.09569 Da
Monoisotopic Mass

0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 212.10297 145.4
[M+Na]+ 234.08491 155.4
[M+NH4]+ 229.12951 150.4
[M+K]+ 250.05885 152.3
[M-H]- 210.08841 143.9
[M+Na-2H]- 232.07036 150.0
[M]+ 211.09514 146.0
[M]- 211.09624 146.0
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

No patent data available for this compound.