PubChemLite - Pirmenol [inn] (C22H30N2O)

Structural Information

Molecular Formula

SMILES

C[C@@H]1CCC[C@@H](N1CCC[C@@](C2=CC=CC=C2)(C3=CC=CC=N3)O)C

InChI

InChI=1S/C22H30N2O/c1-18-10-8-11-19(2)24(18)17-9-15-22(25,20-12-4-3-5-13-20)21-14-6-7-16-23-21/h3-7,12-14,16,18-19,25H,8-11,15,17H2,1-2H3/t18-,19+,22-/m1/s1

InChIKey

APUDBKTWDCXQJA-XQBPLPMBSA-N

Compound name

(1R)-4-[(2R,6S)-2,6-dimethylpiperidin-1-yl]-1-phenyl-1-pyridin-2-ylbutan-1-ol

Related CIDs

2D Structure

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]+	339.24308	187.4
[M+Na]+	361.22502	200.9
[M+NH4]+	356.26962	195.0
[M+K]+	377.19896	192.3
[M-H]-	337.22852	192.4
[M+Na-2H]-	359.21047	196.1
[M]+	338.23525	190.9
[M]-	338.23635	190.9

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

339.24308

187.4

[M+Na]+

361.22502

200.9

[M+NH4]+

356.26962

195.0

[M+K]+

377.19896

192.3

[M-H]-

337.22852

192.4

[M+Na-2H]-

359.21047

196.1

[M]+

338.23525

190.9

[M]-

338.23635

190.9

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.

Pirmenol [inn]

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

Patent stripe