CID 89192

19614-67-6

Structural Information

Molecular Formula

C₁₁H₁₅NO

SMILES

CCN(CC1CO1)C2=CC=CC=C2

InChI

InChI=1S/C11H15NO/c1-2-12(8-11-9-13-11)10-6-4-3-5-7-10/h3-7,11H,2,8-9H2,1H3

InChIKey

VRCFZKKIBKCDQH-UHFFFAOYSA-N

Compound name

N-ethyl-N-(oxiran-2-ylmethyl)aniline

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 57
Patents: 177.11537 Da
Monoisotopic Mass: 2.1
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]+	178.122646	137.6
[M+Na]+	200.104588	145.5
[M-H]-	176.108094	147.0
[M+NH4]+	195.149193	151.9
[M+K]+	216.078528	145.3
[M+H-H2O]+	160.112630	130.1
[M+HCOO]-	222.113571	162.8
[M+CH3COO]-	236.129221	189.2
[M+Na-2H]-	198.090036	145.8
[M]+	177.11482142	141.8
[M]-	177.11591858	141.8

Literature stripe

literature stripe

Patent stripe

patents stripe