CID 3047556

63722-64-5

Structural Information

Molecular Formula

C₁₈H₃₃N

SMILES

C1CCC(CC1)C(CC2CCCN2)C3CCCCC3

InChI

InChI=1S/C18H33N/c1-3-8-15(9-4-1)18(14-17-12-7-13-19-17)16-10-5-2-6-11-16/h15-19H,1-14H2

InChIKey

FFDGMRFAJRYVTO-UHFFFAOYSA-N

Compound name

2-(2,2-dicyclohexylethyl)pyrrolidine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 263.2613 Da
Monoisotopic Mass: 6.4
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]+	264.26858	170.9
[M+Na]+	286.25052	167.8
[M-H]-	262.25402	174.1
[M+NH4]+	281.29512	185.4
[M+K]+	302.22446	163.6
[M+H-H2O]+	246.25856	161.5
[M+HCOO]-	308.25950	180.5
[M+CH3COO]-	322.27515	177.3
[M+Na-2H]-	284.23597	166.3
[M]+	263.26075	155.8
[M]-	263.26185	155.8

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe