CID 31713

23229-39-2

Structural Information

Molecular Formula

C₁₂H₁₈N₂O

SMILES

CN1CCN(C1C2=CC=C(C=C2)OC)C

InChI

InChI=1S/C12H18N2O/c1-13-8-9-14(2)12(13)10-4-6-11(15-3)7-5-10/h4-7,12H,8-9H2,1-3H3

InChIKey

UQSPFESRVJWENP-UHFFFAOYSA-N

Compound name

2-(4-methoxyphenyl)-1,3-dimethylimidazolidine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 9
Patents: 206.1419 Da
Monoisotopic Mass: 1.7
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]+	207.14918	147.1
[M+Na]+	229.13112	155.3
[M-H]-	205.13462	151.3
[M+NH4]+	224.17572	165.6
[M+K]+	245.10506	152.8
[M+H-H2O]+	189.13916	139.2
[M+HCOO]-	251.14010	167.7
[M+CH3COO]-	265.15575	187.4
[M+Na-2H]-	227.11657	149.4
[M]+	206.14135	147.0
[M]-	206.14245	147.0

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe