CID 3079230

124675-93-0

Structural Information

Molecular Formula

C₂₃H₂₇NO₂

SMILES

CC1CCC2N1C(CC2)COC(=O)C(C3=CC=CC=C3)C4=CC=CC=C4

InChI

InChI=1S/C23H27NO2/c1-17-12-13-20-14-15-21(24(17)20)16-26-23(25)22(18-8-4-2-5-9-18)19-10-6-3-7-11-19/h2-11,17,20-22H,12-16H2,1H3

InChIKey

LVKQJFNPPSQLKL-UHFFFAOYSA-N

Compound name

(5-methyl-2,3,5,6,7,8-hexahydro-1H-pyrrolizin-3-yl)methyl 2,2-diphenylacetate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 349.2042 Da
Monoisotopic Mass: 5.0
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]+	350.211476	187.9
[M+Na]+	372.193418	191.1
[M-H]-	348.196924	196.2
[M+NH4]+	367.238023	203.2
[M+K]+	388.167358	186.4
[M+H-H2O]+	332.201460	179.0
[M+HCOO]-	394.202401	204.8
[M+CH3COO]-	408.218051	197.0
[M+Na-2H]-	370.178866	183.9
[M]+	349.20365142	185.5
[M]-	349.20474858	185.5

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.