CID 233146

Tte 10

Structural Information

Molecular Formula

C₁₄H₂₃NO

SMILES

CCN(CC)CCOC1=C(C=CC=C1C)C

InChI

InChI=1S/C14H23NO/c1-5-15(6-2)10-11-16-14-12(3)8-7-9-13(14)4/h7-9H,5-6,10-11H2,1-4H3

InChIKey

CUPDSRNSEOOMSW-UHFFFAOYSA-N

Compound name

2-(2,6-dimethylphenoxy)-N,N-diethylethanamine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 7
Patents: 221.17796 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]+	222.185236	153.6
[M+Na]+	244.167178	160.0
[M-H]-	220.170684	158.4
[M+NH4]+	239.211783	172.9
[M+K]+	260.141118	158.8
[M+H-H2O]+	204.175220	146.8
[M+HCOO]-	266.176161	178.2
[M+CH3COO]-	280.191811	199.1
[M+Na-2H]-	242.152626	157.2
[M]+	221.17741142	158.0
[M]-	221.17850858	158.0

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe