CID 48127

3-pyrrolidinomethyl-4-hydroxybiphenyl

Structural Information

Molecular Formula

C₁₇H₁₉NO

SMILES

C1CCN(C1)CC2=C(C=CC(=C2)C3=CC=CC=C3)O

InChI

InChI=1S/C17H19NO/c19-17-9-8-15(14-6-2-1-3-7-14)12-16(17)13-18-10-4-5-11-18/h1-3,6-9,12,19H,4-5,10-11,13H2

InChIKey

XQJLHCHLQCZANH-UHFFFAOYSA-N

Compound name

4-phenyl-2-(pyrrolidin-1-ylmethyl)phenol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 253.14667 Da
Monoisotopic Mass: 3.5
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]+	254.153946	159.1
[M+Na]+	276.135888	165.1
[M-H]-	252.139394	165.8
[M+NH4]+	271.180493	175.5
[M+K]+	292.109828	159.8
[M+H-H2O]+	236.143930	150.6
[M+HCOO]-	298.144871	179.2
[M+CH3COO]-	312.160521	170.4
[M+Na-2H]-	274.121336	161.4
[M]+	253.14612142	155.4
[M]-	253.14721858	155.4

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.