CID 40184

51938-12-6

Structural Information

Molecular Formula

C₇H₁₆N₂O₂

SMILES

CCCN(CCCCO)N=O

InChI

InChI=1S/C7H16N2O2/c1-2-5-9(8-11)6-3-4-7-10/h10H,2-7H2,1H3

InChIKey

UWWNOBIHFJLOSY-UHFFFAOYSA-N

Compound name

N-(4-hydroxybutyl)-N-propylnitrous amide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 36
Patents: 160.12119 Da
Monoisotopic Mass: 0.5
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]+	161.12847	135.7
[M+Na]+	183.11041	141.2
[M-H]-	159.11391	137.1
[M+NH4]+	178.15501	156.6
[M+K]+	199.08435	142.3
[M+H-H2O]+	143.11845	129.7
[M+HCOO]-	205.11939	162.4
[M+CH3COO]-	219.13504	186.5
[M+Na-2H]-	181.09586	141.9
[M]+	160.12064	139.2
[M]-	160.12174	139.2

Literature stripe

literature stripe

Patent stripe

patents stripe