CID 13287087

Brn 5558364

Structural Information

Molecular Formula

C₁₁H₁₇N₃O₂

SMILES

CN1CCCC1=NC(=O)CN2CCCC2=O

InChI

InChI=1S/C11H17N3O2/c1-13-6-2-4-9(13)12-10(15)8-14-7-3-5-11(14)16/h2-8H2,1H3

InChIKey

SEQVCSYFERPDNS-UHFFFAOYSA-N

Compound name

N-(1-methylpyrrolidin-2-ylidene)-2-(2-oxopyrrolidin-1-yl)acetamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1
Patents: 223.13208 Da
Monoisotopic Mass: -0.6
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]+	224.139356	152.3
[M+Na]+	246.121298	157.7
[M-H]-	222.124804	157.2
[M+NH4]+	241.165903	171.4
[M+K]+	262.095238	156.5
[M+H-H2O]+	206.129340	144.2
[M+HCOO]-	268.130281	173.3
[M+CH3COO]-	282.145931	190.9
[M+Na-2H]-	244.106746	151.2
[M]+	223.13153142	149.1
[M]-	223.13262858	149.1

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe