CID 6918293

Valrocemide

Structural Information

Molecular Formula

C₁₀H₂₀N₂O₂

SMILES

CCCC(CCC)C(=O)NCC(=O)N

InChI

InChI=1S/C10H20N2O2/c1-3-5-8(6-4-2)10(14)12-7-9(11)13/h8H,3-7H2,1-2H3,(H2,11,13)(H,12,14)

InChIKey

RALGCAOVRLYSMA-UHFFFAOYSA-N

Compound name

N-(2-amino-2-oxoethyl)-2-propylpentanamide

Related CIDs

2D Structure

compound 2d structure

3
Annotation Hits: 10
References: 270
Patents: 200.15248 Da
Monoisotopic Mass: 1.3
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]+	201.15976	150.7
[M+Na]+	223.14170	154.4
[M-H]-	199.14520	149.8
[M+NH4]+	218.18630	168.8
[M+K]+	239.11564	153.9
[M+H-H2O]+	183.14974	144.5
[M+HCOO]-	245.15068	172.4
[M+CH3COO]-	259.16633	192.5
[M+Na-2H]-	221.12715	151.0
[M]+	200.15193	150.2
[M]-	200.15303	150.2

Literature stripe

literature stripe

Patent stripe

patents stripe