CID 229629

Alpha-(n-methylanilinomethyl)benzyl alcohol hydrochloride

Structural Information

Molecular Formula

C₁₅H₁₇NO

SMILES

CN(CC(C1=CC=CC=C1)O)C2=CC=CC=C2

InChI

InChI=1S/C15H17NO/c1-16(14-10-6-3-7-11-14)12-15(17)13-8-4-2-5-9-13/h2-11,15,17H,12H2,1H3

InChIKey

UTFKRKIKZZXSDC-UHFFFAOYSA-N

Compound name

2-(N-methylanilino)-1-phenylethanol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 17
Patents: 227.13101 Da
Monoisotopic Mass: 2.9
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]+	228.138286	152.4
[M+Na]+	250.120228	157.0
[M-H]-	226.123734	158.6
[M+NH4]+	245.164833	169.5
[M+K]+	266.094168	154.4
[M+H-H2O]+	210.128270	144.6
[M+HCOO]-	272.129211	175.7
[M+CH3COO]-	286.144861	193.6
[M+Na-2H]-	248.105676	157.8
[M]+	227.13046142	151.2
[M]-	227.13155858	151.2

Literature stripe

literature stripe

Patent stripe

patents stripe