CID 3071445

N-(morpholinomethyl)valnoctamide hydrochloride

Structural Information

Molecular Formula

C₁₃H₂₆N₂O₂

SMILES

CCC(C)C(CC)C(=O)NCN1CCOCC1

InChI

InChI=1S/C13H26N2O2/c1-4-11(3)12(5-2)13(16)14-10-15-6-8-17-9-7-15/h11-12H,4-10H2,1-3H3,(H,14,16)

InChIKey

MRJWCQCVEVGALU-UHFFFAOYSA-N

Compound name

2-ethyl-3-methyl-N-(morpholin-4-ylmethyl)pentanamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 242.19943 Da
Monoisotopic Mass: 2.0
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]+	243.206706	163.3
[M+Na]+	265.188648	164.6
[M-H]-	241.192154	164.3
[M+NH4]+	260.233253	177.3
[M+K]+	281.162588	165.0
[M+H-H2O]+	225.196690	155.5
[M+HCOO]-	287.197631	178.6
[M+CH3COO]-	301.213281	197.1
[M+Na-2H]-	263.174096	163.8
[M]+	242.19888142	160.9
[M]-	242.19997858	160.9

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.