CID 3054002

Brn 2748696

Structural Information

Molecular Formula

C₂₀H₂₅NO

SMILES

CC(CNCC1CC1)C(C2=CC=CC=C2)(C3=CC=CC=C3)O

InChI

InChI=1S/C20H25NO/c1-16(14-21-15-17-12-13-17)20(22,18-8-4-2-5-9-18)19-10-6-3-7-11-19/h2-11,16-17,21-22H,12-15H2,1H3

InChIKey

CODSMHLEBIVYSI-UHFFFAOYSA-N

Compound name

3-(cyclopropylmethylamino)-2-methyl-1,1-diphenylpropan-1-ol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 295.1936 Da
Monoisotopic Mass: 3.7
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]+	296.200876	163.5
[M+Na]+	318.182818	168.3
[M-H]-	294.186324	171.4
[M+NH4]+	313.227423	172.7
[M+K]+	334.156758	163.5
[M+H-H2O]+	278.190860	155.8
[M+HCOO]-	340.191801	184.2
[M+CH3COO]-	354.207451	206.4
[M+Na-2H]-	316.168266	169.1
[M]+	295.19305142	163.7
[M]-	295.19414858	163.7

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.