CID 12364326

Benzyl(methyl)(oxiran-2-ylmethyl)amine

Structural Information

Molecular Formula

C₁₁H₁₅NO

SMILES

CN(CC1CO1)CC2=CC=CC=C2

InChI

InChI=1S/C11H15NO/c1-12(8-11-9-13-11)7-10-5-3-2-4-6-10/h2-6,11H,7-9H2,1H3

InChIKey

CXGKOQYNBRYUFC-UHFFFAOYSA-N

Compound name

N-benzyl-N-methyl-1-(oxiran-2-yl)methanamine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 30
Patents: 177.11537 Da
Monoisotopic Mass: 1.5
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]+	178.12265	140.2
[M+Na]+	200.10459	154.1
[M+NH4]+	195.14919	150.1
[M+K]+	216.07853	148.9
[M-H]-	176.10809	152.9
[M+Na-2H]-	198.09004	150.9
[M]+	177.11482	146.9
[M]-	177.11592	146.9

Literature stripe

literature stripe

Patent stripe

patents stripe