CID 45132

Acetic acid, diphenyl-, 4-(1,2,6-trimethylpiperidyl)ester, hydrochloride

Structural Information

Molecular Formula

C₂₂H₂₇NO₂

SMILES

CC1CC(CC(N1C)C)OC(=O)C(C2=CC=CC=C2)C3=CC=CC=C3

InChI

InChI=1S/C22H27NO2/c1-16-14-20(15-17(2)23(16)3)25-22(24)21(18-10-6-4-7-11-18)19-12-8-5-9-13-19/h4-13,16-17,20-21H,14-15H2,1-3H3

InChIKey

AHIAMZLOPZJCNC-UHFFFAOYSA-N

Compound name

(1,2,6-trimethylpiperidin-4-yl) 2,2-diphenylacetate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 337.2042 Da
Monoisotopic Mass: 4.9
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]+	338.211476	183.7
[M+Na]+	360.193418	187.3
[M-H]-	336.196924	190.8
[M+NH4]+	355.238023	195.2
[M+K]+	376.167358	183.0
[M+H-H2O]+	320.201460	173.4
[M+HCOO]-	382.202401	199.5
[M+CH3COO]-	396.218051	213.3
[M+Na-2H]-	358.178866	182.4
[M]+	337.20365142	180.9
[M]-	337.20474858	180.9

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.