CID 201073

3188-69-0

Structural Information

Molecular Formula

C₁₄H₁₉NO₂

SMILES

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

InChI

InChI=1S/C14H19NO2/c1-3-13(16)17-14(9-10-15(2)11-14)12-7-5-4-6-8-12/h4-8H,3,9-11H2,1-2H3

InChIKey

HSCOGTOYLILNHR-UHFFFAOYSA-N

Compound name

(1-methyl-3-phenylpyrrolidin-3-yl) propanoate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 233.14159 Da
Monoisotopic Mass: 2.1
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]+	234.14887	154.3
[M+Na]+	256.13081	160.7
[M-H]-	232.13431	159.4
[M+NH4]+	251.17541	174.4
[M+K]+	272.10475	158.5
[M+H-H2O]+	216.13885	147.3
[M+HCOO]-	278.13979	175.1
[M+CH3COO]-	292.15544	189.3
[M+Na-2H]-	254.11626	157.1
[M]+	233.14104	154.0
[M]-	233.14214	154.0

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe