CID 213030

Ecolyst

Structural Information

Molecular Formula

C₁₄H₂₃NO

SMILES

CCN(CC)CCOCC1=CC=C(C=C1)C

InChI

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

InChIKey

DUPRTBOVJMCXIM-UHFFFAOYSA-N

Compound name

N,N-diethyl-2-[(4-methylphenyl)methoxy]ethanamine

Related CIDs

2D Structure

compound 2d structure

5
Annotation Hits: 0
References: 63
Patents: 221.17796 Da
Monoisotopic Mass: 2.7
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]+	222.185236	154.2
[M+Na]+	244.167178	159.7
[M-H]-	220.170684	158.6
[M+NH4]+	239.211783	173.2
[M+K]+	260.141118	158.4
[M+H-H2O]+	204.175220	147.1
[M+HCOO]-	266.176161	178.9
[M+CH3COO]-	280.191811	198.0
[M+Na-2H]-	242.152626	158.5
[M]+	221.17741142	158.3
[M]-	221.17850858	158.3

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe