CID 580038

87168-44-3

Structural Information

Molecular Formula

C₁₅H₂₆N₂O₂

SMILES

CN1C2CCC1CC(C2)OC(=O)CCN3CCCC3

InChI

InChI=1S/C15H26N2O2/c1-16-12-4-5-13(16)11-14(10-12)19-15(18)6-9-17-7-2-3-8-17/h12-14H,2-11H2,1H3

InChIKey

BWPRWNIQEYRCRX-UHFFFAOYSA-N

Compound name

(8-methyl-8-azabicyclo[3.2.1]octan-3-yl) 3-pyrrolidin-1-ylpropanoate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 8
References: 0
Patents: 266.19943 Da
Monoisotopic Mass: 1.8
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]+	267.206706	167.7
[M+Na]+	289.188648	170.8
[M-H]-	265.192154	169.5
[M+NH4]+	284.233253	186.2
[M+K]+	305.162588	168.4
[M+H-H2O]+	249.196690	160.0
[M+HCOO]-	311.197631	181.1
[M+CH3COO]-	325.213281	197.1
[M+Na-2H]-	287.174096	164.9
[M]+	266.19888142	164.0
[M]-	266.19997858	164.0

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.