CID 3086495

K-4010

Structural Information

Molecular Formula

C₁₀H₁₀N₂O₂

SMILES

C1CN=C(N1)C2=CC3=C(C=C2)OCO3

InChI

InChI=1S/C10H10N2O2/c1-2-8-9(14-6-13-8)5-7(1)10-11-3-4-12-10/h1-2,5H,3-4,6H2,(H,11,12)

InChIKey

DINTYXOWAMJKHQ-UHFFFAOYSA-N

Compound name

2-(1,3-benzodioxol-5-yl)-4,5-dihydro-1H-imidazole

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 0
Patents: 190.07423 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]+	191.08151	138.3
[M+Na]+	213.06345	150.5
[M+NH4]+	208.10805	146.8
[M+K]+	229.03739	149.1
[M-H]-	189.06695	143.0
[M+Na-2H]-	211.04890	143.3
[M]+	190.07368	141.2
[M]-	190.07478	141.2

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.