CID 30499

21140-37-4

Structural Information

Molecular Formula

C₁₅H₁₇NO

SMILES

CN(C)CC1=C(C=CC(=C1)C2=CC=CC=C2)O

InChI

InChI=1S/C15H17NO/c1-16(2)11-14-10-13(8-9-15(14)17)12-6-4-3-5-7-12/h3-10,17H,11H2,1-2H3

InChIKey

UGUSLDBGJORUJU-UHFFFAOYSA-N

Compound name

2-[(dimethylamino)methyl]-4-phenylphenol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 227.13101 Da
Monoisotopic Mass: 3.0
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]+	228.13829	151.6
[M+Na]+	250.12023	158.5
[M-H]-	226.12373	158.6
[M+NH4]+	245.16483	169.5
[M+K]+	266.09417	155.4
[M+H-H2O]+	210.12827	144.2
[M+HCOO]-	272.12921	176.0
[M+CH3COO]-	286.14486	195.0
[M+Na-2H]-	248.10568	156.9
[M]+	227.13046	151.9
[M]-	227.13156	151.9

Literature stripe

literature stripe

Patent stripe

patents stripe