CID 411826

Alpha-((diethylamino)methyl)phenethyl alcohol

Structural Information

Molecular Formula

C₁₃H₂₁NO

SMILES

CCN(CC)CC(CC1=CC=CC=C1)O

InChI

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

InChIKey

HNOTZJFCQWBXLJ-UHFFFAOYSA-N

Compound name

1-(diethylamino)-3-phenylpropan-2-ol

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 0
References: 5
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	151.0
[M+Na]+	230.15153	155.2
[M-H]-	206.15503	153.8
[M+NH4]+	225.19613	169.4
[M+K]+	246.12547	153.7
[M+H-H2O]+	190.15957	144.2
[M+HCOO]-	252.16051	173.4
[M+CH3COO]-	266.17616	192.0
[M+Na-2H]-	228.13698	154.7
[M]+	207.16176	151.7
[M]-	207.16286	151.7

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe