CID 43576055

2402829-34-7

Structural Information

Molecular Formula

C₁₀H₂₁N₃O

SMILES

CN(C)C(=O)C1CCCN1CCCN

InChI

InChI=1S/C10H21N3O/c1-12(2)10(14)9-5-3-7-13(9)8-4-6-11/h9H,3-8,11H2,1-2H3

InChIKey

UPEMQWKACLUGAK-UHFFFAOYSA-N

Compound name

1-(3-aminopropyl)-N,N-dimethylpyrrolidine-2-carboxamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 2
Patents: 199.16846 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]+	200.17574	149.2
[M+Na]+	222.15768	153.4
[M-H]-	198.16118	151.6
[M+NH4]+	217.20228	168.7
[M+K]+	238.13162	153.2
[M+H-H2O]+	182.16572	141.8
[M+HCOO]-	244.16666	171.3
[M+CH3COO]-	258.18231	192.9
[M+Na-2H]-	220.14313	149.5
[M]+	199.16791	146.9
[M]-	199.16901	146.9

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe