CID 3159730

3-cyclohexylpyrrolidine

Structural Information

Molecular Formula

C₁₀H₁₉N

SMILES

C1CCC(CC1)C2CCNC2

InChI

InChI=1S/C10H19N/c1-2-4-9(5-3-1)10-6-7-11-8-10/h9-11H,1-8H2

InChIKey

PJQCUMVGSKEOMN-UHFFFAOYSA-N

Compound name

3-cyclohexylpyrrolidine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 85
Patents: 153.15175 Da
Monoisotopic Mass: 2.9
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]+	154.15903	137.8
[M+Na]+	176.14097	140.3
[M-H]-	152.14447	139.9
[M+NH4]+	171.18557	157.8
[M+K]+	192.11491	137.8
[M+H-H2O]+	136.14901	130.6
[M+HCOO]-	198.14995	154.1
[M+CH3COO]-	212.16560	148.6
[M+Na-2H]-	174.12642	139.7
[M]+	153.15120	127.5
[M]-	153.15230	127.5

Literature stripe

literature stripe

Patent stripe

patents stripe