CID 53424206

678185-68-7

Structural Information

Molecular Formula

C₁₁H₂₁N₃O

SMILES

CC1CC(CN1C)NC(=O)N2CCCC2

InChI

InChI=1S/C11H21N3O/c1-9-7-10(8-13(9)2)12-11(15)14-5-3-4-6-14/h9-10H,3-8H2,1-2H3,(H,12,15)

InChIKey

AZBFJBJXUQUQLF-UHFFFAOYSA-N

Compound name

N-(1,5-dimethylpyrrolidin-3-yl)pyrrolidine-1-carboxamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 9994
Patents: 211.16846 Da
Monoisotopic Mass: 0.7
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]+	212.17574	152.3
[M+Na]+	234.15768	156.8
[M-H]-	210.16118	155.7
[M+NH4]+	229.20228	171.4
[M+K]+	250.13162	155.4
[M+H-H2O]+	194.16572	144.3
[M+HCOO]-	256.16666	171.2
[M+CH3COO]-	270.18231	187.9
[M+Na-2H]-	232.14313	150.6
[M]+	211.16791	147.1
[M]-	211.16901	147.1

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe