CID 120846

Ubine hydrochloride

Structural Information

Molecular Formula

C₁₀H₁₅NO

SMILES

CN(C)CC(C1=CC=CC=C1)O

InChI

InChI=1S/C10H15NO/c1-11(2)8-10(12)9-6-4-3-5-7-9/h3-7,10,12H,8H2,1-2H3

InChIKey

FUKFNSSCQOYPRM-UHFFFAOYSA-N

Compound name

2-(dimethylamino)-1-phenylethanol

Related CIDs

2D Structure

compound 2d structure

3
Annotation Hits: 1
References: 255
Patents: 165.11537 Da
Monoisotopic Mass: 1.5
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]+	166.12265	136.9
[M+Na]+	188.10459	142.4
[M-H]-	164.10809	140.3
[M+NH4]+	183.14919	157.0
[M+K]+	204.07853	141.7
[M+H-H2O]+	148.11263	130.7
[M+HCOO]-	210.11357	160.4
[M+CH3COO]-	224.12922	182.9
[M+Na-2H]-	186.09004	142.3
[M]+	165.11482	136.5
[M]-	165.11592	136.5

Literature stripe

literature stripe

Patent stripe

patents stripe