CID 21149933

102280-80-8

Structural Information

Molecular Formula

C₁₆H₂₃NO₂

SMILES

CCC(=O)OC1(CCN(C1(C)C)C)C2=CC=CC=C2

InChI

InChI=1S/C16H23NO2/c1-5-14(18)19-16(13-9-7-6-8-10-13)11-12-17(4)15(16,2)3/h6-10H,5,11-12H2,1-4H3

InChIKey

CVVVAKWIJVKBJN-UHFFFAOYSA-N

Compound name

(1,2,2-trimethyl-3-phenylpyrrolidin-3-yl) propanoate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 2
Patents: 261.17288 Da
Monoisotopic Mass: 2.7
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]+	262.180156	160.4
[M+Na]+	284.162098	167.9
[M-H]-	260.165604	165.9
[M+NH4]+	279.206703	181.7
[M+K]+	300.136038	165.5
[M+H-H2O]+	244.170140	154.2
[M+HCOO]-	306.171081	180.5
[M+CH3COO]-	320.186731	196.1
[M+Na-2H]-	282.147546	162.9
[M]+	261.17233142	161.6
[M]-	261.17342858	161.6

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe