CID 9813222

323196-43-6

Structural Information

Molecular Formula

C₁₃H₁₈N₂O

SMILES

CC1(N[C@H](C(=O)N1C)CC2=CC=CC=C2)C

InChI

InChI=1S/C13H18N2O/c1-13(2)14-11(12(16)15(13)3)9-10-7-5-4-6-8-10/h4-8,11,14H,9H2,1-3H3/t11-/m0/s1

InChIKey

UACYWOJLWBDSHG-NSHDSACASA-N

Compound name

(5S)-5-benzyl-2,2,3-trimethylimidazolidin-4-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 83
Patents: 218.1419 Da
Monoisotopic Mass: 1.8
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]+	219.14918	149.8
[M+Na]+	241.13112	158.4
[M-H]-	217.13462	152.8
[M+NH4]+	236.17572	169.1
[M+K]+	257.10506	154.4
[M+H-H2O]+	201.13916	142.8
[M+HCOO]-	263.14010	168.8
[M+CH3COO]-	277.15575	186.5
[M+Na-2H]-	239.11657	152.4
[M]+	218.14135	147.9
[M]-	218.14245	147.9

Literature stripe

literature stripe

Patent stripe

patents stripe