CID 15567529

4-propyl-1h-imidazol-2(3h)-one

Structural Information

Molecular Formula

C₆H₁₀N₂O

SMILES

CCCC1=CNC(=O)N1

InChI

InChI=1S/C6H10N2O/c1-2-3-5-4-7-6(9)8-5/h4H,2-3H2,1H3,(H2,7,8,9)

InChIKey

XVRUDUVVABJXSC-UHFFFAOYSA-N

Compound name

4-propyl-1,3-dihydroimidazol-2-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 6
Patents: 126.079315 Da
Monoisotopic Mass: 0.3
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]+	127.086591	124.7
[M+Na]+	149.068533	133.7
[M-H]-	125.072039	123.3
[M+NH4]+	144.113138	144.9
[M+K]+	165.042473	130.7
[M+H-H2O]+	109.076575	118.6
[M+HCOO]-	171.077516	145.8
[M+CH3COO]-	185.093166	164.8
[M+Na-2H]-	147.053981	130.3
[M]+	126.07876642	122.6
[M]-	126.07986358	122.6

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe