CID 204388

110529-22-1

Structural Information

Molecular Formula

C₁₈H₂₁NO

SMILES

CN1CCCC1C(C2=CC=CC=C2)(C3=CC=CC=C3)O

InChI

InChI=1S/C18H21NO/c1-19-14-8-13-17(19)18(20,15-9-4-2-5-10-15)16-11-6-3-7-12-16/h2-7,9-12,17,20H,8,13-14H2,1H3

InChIKey

XIJAGFLYYNXCAB-UHFFFAOYSA-N

Compound name

(1-methylpyrrolidin-2-yl)-diphenylmethanol

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 4
References: 117
Patents: 267.16232 Da
Monoisotopic Mass: 3.1
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]+	268.169596	163.8
[M+Na]+	290.151538	168.8
[M-H]-	266.155044	170.3
[M+NH4]+	285.196143	179.4
[M+K]+	306.125478	163.8
[M+H-H2O]+	250.159580	155.6
[M+HCOO]-	312.160521	182.0
[M+CH3COO]-	326.176171	174.5
[M+Na-2H]-	288.136986	167.1
[M]+	267.16177142	159.6
[M]-	267.16286858	159.6

Literature stripe

literature stripe

Patent stripe

patents stripe