CID 3085985

Benzenamine, n-(2-butoxyethyl)-n-ethyl-

Structural Information

Molecular Formula

C₁₄H₂₃NO

SMILES

CCCCOCCN(CC)C1=CC=CC=C1

InChI

InChI=1S/C14H23NO/c1-3-5-12-16-13-11-15(4-2)14-9-7-6-8-10-14/h6-10H,3-5,11-13H2,1-2H3

InChIKey

VUQKTZRVWWQWCD-UHFFFAOYSA-N

Compound name

N-(2-butoxyethyl)-N-ethylaniline

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1
Patents: 221.17796 Da
Monoisotopic Mass: 3.9
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]+	222.18524	154.7
[M+Na]+	244.16718	159.2
[M-H]-	220.17068	158.7
[M+NH4]+	239.21178	173.4
[M+K]+	260.14112	157.9
[M+H-H2O]+	204.17522	147.3
[M+HCOO]-	266.17616	179.3
[M+CH3COO]-	280.19181	196.8
[M+Na-2H]-	242.15263	159.6
[M]+	221.17741	158.3
[M]-	221.17851	158.3

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe