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]+	191.081506	137.0
[M+Na]+	213.063448	145.2
[M-H]-	189.066954	142.0
[M+NH4]+	208.108053	154.9
[M+K]+	229.037388	144.4
[M+H-H2O]+	173.071490	130.5
[M+HCOO]-	235.072431	155.7
[M+CH3COO]-	249.088081	150.2
[M+Na-2H]-	211.048896	142.6
[M]+	190.07368142	136.0
[M]-	190.07477858	136.0

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.