CID 13578534

137998-15-3

Structural Information

Molecular Formula

C₉H₁₆N₂O

SMILES

C1CCN(C1)C(=O)[C@@H]2CCCN2

InChI

InChI=1S/C9H16N2O/c12-9(8-4-3-5-10-8)11-6-1-2-7-11/h8,10H,1-7H2/t8-/m0/s1

InChIKey

HDLWINONZUFKQV-QMMMGPOBSA-N

Compound name

pyrrolidin-1-yl-[(2S)-pyrrolidin-2-yl]methanone

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 4
References: 121
Patents: 168.12627 Da
Monoisotopic Mass: 0.3
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	145.0
[M-H]-	167.11899	142.7
[M+NH4]+	186.16009	160.8
[M+K]+	207.08943	143.4
[M+H-H2O]+	151.12353	133.4
[M+HCOO]-	213.12447	158.1
[M+CH3COO]-	227.14012	173.0
[M+Na-2H]-	189.10094	140.6
[M]+	168.12572	133.3
[M]-	168.12682	133.3

Literature stripe

literature stripe

Patent stripe

patents stripe