CID 3044879

Triethylamine, 2-benzyloxy-

Structural Information

Molecular Formula

C₁₃H₂₁NO

SMILES

CCN(CC)CCOCC1=CC=CC=C1

InChI

InChI=1S/C13H21NO/c1-3-14(4-2)10-11-15-12-13-8-6-5-7-9-13/h5-9H,3-4,10-12H2,1-2H3

InChIKey

LRLJVBAEZJFSCJ-UHFFFAOYSA-N

Compound name

N,N-diethyl-2-phenylmethoxyethanamine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 16
Patents: 207.16231 Da
Monoisotopic Mass: 2.3
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]+	208.16959	150.0
[M+Na]+	230.15153	154.9
[M-H]-	206.15503	154.2
[M+NH4]+	225.19613	169.3
[M+K]+	246.12547	153.9
[M+H-H2O]+	190.15957	142.9
[M+HCOO]-	252.16051	175.0
[M+CH3COO]-	266.17616	193.8
[M+Na-2H]-	228.13698	155.5
[M]+	207.16176	153.3
[M]-	207.16286	153.3

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe