CID 11447159

172405-14-0

Structural Information

Molecular Formula

C₉H₁₃N₃O₃

SMILES

CC(C)(C)OC(=O)NC1=CC=NC(=O)N1

InChI

InChI=1S/C9H13N3O3/c1-9(2,3)15-8(14)12-6-4-5-10-7(13)11-6/h4-5H,1-3H3,(H2,10,11,12,13,14)

InChIKey

KQBLNORRZIXYPW-UHFFFAOYSA-N

Compound name

tert-butyl N-(2-oxo-1H-pyrimidin-6-yl)carbamate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 19
Patents: 211.09569 Da
Monoisotopic Mass: 0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	212.10297	146.1
[M+Na]+	234.08491	153.9
[M-H]-	210.08841	146.2
[M+NH4]+	229.12951	161.4
[M+K]+	250.05885	152.1
[M+H-H2O]+	194.09295	139.1
[M+HCOO]-	256.09389	166.0
[M+CH3COO]-	270.10954	183.9
[M+Na-2H]-	232.07036	153.0
[M]+	211.09514	146.2
[M]-	211.09624	146.2

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe