CID 801162

34387-89-8

Structural Information

Molecular Formula

C₁₃H₁₄N₂O₄

SMILES

CC(C)(C)OC(=O)NN1C(=O)C2=CC=CC=C2C1=O

InChI

InChI=1S/C13H14N2O4/c1-13(2,3)19-12(18)14-15-10(16)8-6-4-5-7-9(8)11(15)17/h4-7H,1-3H3,(H,14,18)

InChIKey

IOPZBVFVFPPDSC-UHFFFAOYSA-N

Compound name

tert-butyl N-(1,3-dioxoisoindol-2-yl)carbamate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 2
References: 227
Patents: 262.09537 Da
Monoisotopic Mass: 1.8
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]+	263.10265	157.6
[M+Na]+	285.08459	166.8
[M+NH4]+	280.12919	163.3
[M+K]+	301.05853	165.1
[M-H]-	261.08809	156.8
[M+Na-2H]-	283.07004	160.1
[M]+	262.09482	158.2
[M]-	262.09592	158.2

Literature stripe

literature stripe

Patent stripe

patents stripe