CID 43560313

N-(cyclopropylmethyl)-4-ethylaniline

Structural Information

Molecular Formula

C₁₂H₁₇N

SMILES

CCC1=CC=C(C=C1)NCC2CC2

InChI

InChI=1S/C12H17N/c1-2-10-5-7-12(8-6-10)13-9-11-3-4-11/h5-8,11,13H,2-4,9H2,1H3

InChIKey

KPSULWYVAMOJLW-UHFFFAOYSA-N

Compound name

N-(cyclopropylmethyl)-4-ethylaniline

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 8
Patents: 175.1361 Da
Monoisotopic Mass: 3.4
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]+	176.14338	139.3
[M+Na]+	198.12532	153.4
[M+NH4]+	193.16992	149.5
[M+K]+	214.09926	147.0
[M-H]-	174.12882	151.0
[M+Na-2H]-	196.11077	150.4
[M]+	175.13555	145.8
[M]-	175.13665	145.8

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe