CID 81848

Brn 1449130

Structural Information

Molecular Formula

C₉H₁₈N₂O

SMILES

CN(C)CCCN1CCCC1=O

InChI

InChI=1S/C9H18N2O/c1-10(2)6-4-8-11-7-3-5-9(11)12/h3-8H2,1-2H3

InChIKey

VBRBLUHWCNINSZ-UHFFFAOYSA-N

Compound name

1-[3-(dimethylamino)propyl]pyrrolidin-2-one

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 0
References: 540
Patents: 170.1419 Da
Monoisotopic Mass: 0.2
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]+	171.14918	139.9
[M+Na]+	193.13112	145.5
[M-H]-	169.13462	142.8
[M+NH4]+	188.17572	161.1
[M+K]+	209.10506	145.5
[M+H-H2O]+	153.13916	133.0
[M+HCOO]-	215.14010	162.8
[M+CH3COO]-	229.15575	185.4
[M+Na-2H]-	191.11657	142.6
[M]+	170.14135	139.7
[M]-	170.14245	139.7

Literature stripe

literature stripe

Patent stripe

patents stripe