CID 39216

Brn 1535611

Structural Information

Molecular Formula

C₁₁H₁₀N₂O₃

SMILES

CNC(=O)CN1C(=O)C2=CC=CC=C2C1=O

InChI

InChI=1S/C11H10N2O3/c1-12-9(14)6-13-10(15)7-4-2-3-5-8(7)11(13)16/h2-5H,6H2,1H3,(H,12,14)

InChIKey

DNXINDLAKLTTSK-UHFFFAOYSA-N

Compound name

2-(1,3-dioxoisoindol-2-yl)-N-methylacetamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 9
Patents: 218.06914 Da
Monoisotopic Mass: 0.7
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]+	219.07642	144.6
[M+Na]+	241.05836	153.7
[M-H]-	217.06186	148.4
[M+NH4]+	236.10296	164.6
[M+K]+	257.03230	151.1
[M+H-H2O]+	201.06640	138.3
[M+HCOO]-	263.06734	167.6
[M+CH3COO]-	277.08299	189.9
[M+Na-2H]-	239.04381	148.8
[M]+	218.06859	145.8
[M]-	218.06969	145.8

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe