CID 119796

28026-69-9

Structural Information

Molecular Formula

C₁₄H₂₁NO

SMILES

CC(C)(C)N(CC1CO1)CC2=CC=CC=C2

InChI

InChI=1S/C14H21NO/c1-14(2,3)15(10-13-11-16-13)9-12-7-5-4-6-8-12/h4-8,13H,9-11H2,1-3H3

InChIKey

LJGRNWBXBMOCDO-UHFFFAOYSA-N

Compound name

N-benzyl-2-methyl-N-(oxiran-2-ylmethyl)propan-2-amine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 10
Patents: 219.16231 Da
Monoisotopic Mass: 2.4
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]+	220.169586	149.9
[M+Na]+	242.151528	157.1
[M-H]-	218.155034	159.1
[M+NH4]+	237.196133	162.9
[M+K]+	258.125468	156.6
[M+H-H2O]+	202.159570	142.6
[M+HCOO]-	264.160511	172.7
[M+CH3COO]-	278.176161	197.6
[M+Na-2H]-	240.136976	157.3
[M]+	219.16176142	154.8
[M]-	219.16285858	154.8

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe