CID 76531

3089-19-8

Structural Information

Molecular Formula

C₉H₁₅N₃O₂

SMILES

CC(=C)C(=O)NCCN1CCNC1=O

InChI

InChI=1S/C9H15N3O2/c1-7(2)8(13)10-3-5-12-6-4-11-9(12)14/h1,3-6H2,2H3,(H,10,13)(H,11,14)

InChIKey

ZHNZXPCKMAJBQQ-UHFFFAOYSA-N

Compound name

2-methyl-N-[2-(2-oxoimidazolidin-1-yl)ethyl]prop-2-enamide

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 0
References: 893
Patents: 197.11642 Da
Monoisotopic Mass: -0.4
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]+	198.12370	146.7
[M+Na]+	220.10564	153.2
[M+NH4]+	215.15024	151.6
[M+K]+	236.07958	151.6
[M-H]-	196.10914	144.5
[M+Na-2H]-	218.09109	147.5
[M]+	197.11587	146.2
[M]-	197.11697	146.2

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe