CID 83250910

3-(cyclopropylmethyl)imidazolidin-4-one

Structural Information

Molecular Formula

C₇H₁₂N₂O

SMILES

C1CC1CN2CNCC2=O

InChI

InChI=1S/C7H12N2O/c10-7-3-8-5-9(7)4-6-1-2-6/h6,8H,1-5H2

InChIKey

QQJAYHXFBZQHJE-UHFFFAOYSA-N

Compound name

3-(cyclopropylmethyl)imidazolidin-4-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 140.09496 Da
Monoisotopic Mass: -0.1
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]+	141.102236	134.7
[M+Na]+	163.084178	143.6
[M-H]-	139.087684	137.9
[M+NH4]+	158.128783	149.7
[M+K]+	179.058118	140.1
[M+H-H2O]+	123.092220	127.3
[M+HCOO]-	185.093161	154.3
[M+CH3COO]-	199.108811	173.5
[M+Na-2H]-	161.069626	138.2
[M]+	140.09441142	133.1
[M]-	140.09550858	133.1

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.