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: 10
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]+	169.133546	141.1
[M+Na]+	191.115488	145.0
[M-H]-	167.118994	142.7
[M+NH4]+	186.160093	160.8
[M+K]+	207.089428	143.4
[M+H-H2O]+	151.123530	133.4
[M+HCOO]-	213.124471	158.1
[M+CH3COO]-	227.140121	173.0
[M+Na-2H]-	189.100936	140.6
[M]+	168.12572142	133.3
[M]-	168.12681858	133.3

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe