CID 10715

Apronal

Structural Information

Molecular Formula

C₉H₁₆N₂O₂

SMILES

CC(C)C(CC=C)C(=O)NC(=O)N

InChI

InChI=1S/C9H16N2O2/c1-4-5-7(6(2)3)8(12)11-9(10)13/h4,6-7H,1,5H2,2-3H3,(H3,10,11,12,13)

InChIKey

KSUUMAWCGDNLFK-UHFFFAOYSA-N

Compound name

N-carbamoyl-2-propan-2-ylpent-4-enamide

Related CIDs

2D Structure

compound 2d structure

3
Annotation Hits: 61
References: 1199
Patents: 184.12119 Da
Monoisotopic Mass: 1.7
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]+	185.12847	145.2
[M+Na]+	207.11041	149.5
[M-H]-	183.11391	144.7
[M+NH4]+	202.15501	163.9
[M+K]+	223.08435	149.2
[M+H-H2O]+	167.11845	139.5
[M+HCOO]-	229.11939	166.5
[M+CH3COO]-	243.13504	188.8
[M+Na-2H]-	205.09586	144.8
[M]+	184.12064	142.9
[M]-	184.12174	142.9

Literature stripe

literature stripe

Patent stripe

patents stripe