CID 57387562

1315592-48-3

Structural Information

Molecular Formula

C₉H₁₆N₂O

SMILES

C1CCN(C1)C(=O)C2CCNC2

InChI

InChI=1S/C9H16N2O/c12-9(8-3-4-10-7-8)11-5-1-2-6-11/h8,10H,1-7H2

InChIKey

NFNMUPSBEJEEMI-UHFFFAOYSA-N

Compound name

pyrrolidin-1-yl(pyrrolidin-3-yl)methanone

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 11
Patents: 168.12627 Da
Monoisotopic Mass: -0.1
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]+	169.13355	141.1
[M+Na]+	191.11549	148.5
[M+NH4]+	186.16009	148.6
[M+K]+	207.08943	147.3
[M-H]-	167.11899	141.5
[M+Na-2H]-	189.10094	144.2
[M]+	168.12572	141.7
[M]-	168.12682	141.7

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe