CID 54481488

Ns00116881

Structural Information

Molecular Formula

C₆H₁₄N₂O₂

SMILES

CCCCCN(CO)N=O

InChI

InChI=1S/C6H14N2O2/c1-2-3-4-5-8(6-9)7-10/h9H,2-6H2,1H3

InChIKey

XPHGMIGPAFBTSM-UHFFFAOYSA-N

Compound name

N-(hydroxymethyl)-N-pentylnitrous amide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 146.10553 Da
Monoisotopic Mass: 1.4
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]+	147.112806	131.1
[M+Na]+	169.094748	137.0
[M-H]-	145.098254	132.7
[M+NH4]+	164.139353	152.5
[M+K]+	185.068688	138.4
[M+H-H2O]+	129.102790	125.3
[M+HCOO]-	191.103731	158.1
[M+CH3COO]-	205.119381	183.4
[M+Na-2H]-	167.080196	137.8
[M]+	146.10498142	134.2
[M]-	146.10607858	134.2

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.