CID 28386837

2052306-15-5

Structural Information

Molecular Formula

C₉H₁₈N₂O

SMILES

CN(CCCN)C(=O)C1CCC1

InChI

InChI=1S/C9H18N2O/c1-11(7-3-6-10)9(12)8-4-2-5-8/h8H,2-7,10H2,1H3

InChIKey

GBRIYBSKTHYJJE-UHFFFAOYSA-N

Compound name

N-(3-aminopropyl)-N-methylcyclobutanecarboxamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 10
Patents: 170.1419 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]+	171.14918	144.0
[M+Na]+	193.13112	146.3
[M-H]-	169.13462	147.5
[M+NH4]+	188.17572	157.2
[M+K]+	209.10506	149.7
[M+H-H2O]+	153.13916	131.7
[M+HCOO]-	215.14010	166.0
[M+CH3COO]-	229.15575	191.1
[M+Na-2H]-	191.11657	145.9
[M]+	170.14135	150.4
[M]-	170.14245	150.4

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe