CID 22802

6335-43-9

Structural Information

Molecular Formula

C₁₃H₂₁NO

SMILES

C1CCN(C1)C2CCC3CCCC2C3=O

InChI

InChI=1S/C13H21NO/c15-13-10-4-3-5-11(13)12(7-6-10)14-8-1-2-9-14/h10-12H,1-9H2

InChIKey

NCTHTNCTMQAJDU-UHFFFAOYSA-N

Compound name

2-pyrrolidin-1-ylbicyclo[3.3.1]nonan-9-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 207.16231 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]+	208.16959	149.6
[M+Na]+	230.15153	153.2
[M-H]-	206.15503	152.6
[M+NH4]+	225.19613	170.1
[M+K]+	246.12547	150.0
[M+H-H2O]+	190.15957	142.5
[M+HCOO]-	252.16051	163.6
[M+CH3COO]-	266.17616	160.1
[M+Na-2H]-	228.13698	150.8
[M]+	207.16176	141.6
[M]-	207.16286	141.6

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe