CID 53407971

1220038-15-2

Structural Information

Molecular Formula

C₈H₁₆N₂O

SMILES

C1CNCC1N2CCC(C2)O

InChI

InChI=1S/C8H16N2O/c11-8-2-4-10(6-8)7-1-3-9-5-7/h7-9,11H,1-6H2

InChIKey

JJCCEBREJOLZJG-UHFFFAOYSA-N

Compound name

1-pyrrolidin-3-ylpyrrolidin-3-ol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1
Patents: 156.12627 Da
Monoisotopic Mass: -0.5
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]+	157.13355	137.0
[M+Na]+	179.11549	141.8
[M-H]-	155.11899	137.6
[M+NH4]+	174.16009	156.9
[M+K]+	195.08943	139.6
[M+H-H2O]+	139.12353	129.8
[M+HCOO]-	201.12447	153.6
[M+CH3COO]-	215.14012	169.2
[M+Na-2H]-	177.10094	137.2
[M]+	156.12572	128.9
[M]-	156.12682	128.9

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe