CID 4868399

5-(2,3-dihydro-1h-inden-5-yl)-5-methylimidazolidine-2,4-dione

Structural Information

Molecular Formula

C₁₃H₁₄N₂O₂

SMILES

CC1(C(=O)NC(=O)N1)C2=CC3=C(CCC3)C=C2

InChI

InChI=1S/C13H14N2O2/c1-13(11(16)14-12(17)15-13)10-6-5-8-3-2-4-9(8)7-10/h5-7H,2-4H2,1H3,(H2,14,15,16,17)

InChIKey

ROSLVZUWIGWQNX-UHFFFAOYSA-N

Compound name

5-(2,3-dihydro-1H-inden-5-yl)-5-methylimidazolidine-2,4-dione

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 5
Patents: 230.10553 Da
Monoisotopic Mass: 1.9
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]+	231.112806	152.4
[M+Na]+	253.094748	161.0
[M-H]-	229.098254	155.2
[M+NH4]+	248.139353	172.9
[M+K]+	269.068688	155.7
[M+H-H2O]+	213.102790	146.1
[M+HCOO]-	275.103731	169.4
[M+CH3COO]-	289.119381	164.0
[M+Na-2H]-	251.080196	153.7
[M]+	230.10498142	147.6
[M]-	230.10607858	147.6

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe