CID 42095

56986-36-8

Structural Information

Molecular Formula

C₇H₁₄N₂O₃

SMILES

CCCCN(COC(=O)C)N=O

InChI

InChI=1S/C7H14N2O3/c1-3-4-5-9(8-11)6-12-7(2)10/h3-6H2,1-2H3

InChIKey

YMUAXKYTHNCMAS-UHFFFAOYSA-N

Compound name

[butyl(nitroso)amino]methyl acetate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 535
Patents: 174.10045 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]+	175.107726	137.2
[M+Na]+	197.089668	143.1
[M-H]-	173.093174	140.2
[M+NH4]+	192.134273	158.1
[M+K]+	213.063608	145.6
[M+H-H2O]+	157.097710	130.9
[M+HCOO]-	219.098651	164.8
[M+CH3COO]-	233.114301	190.4
[M+Na-2H]-	195.075116	142.7
[M]+	174.09990142	142.6
[M]-	174.10099858	142.6

Literature stripe

literature stripe

Patent stripe

patents stripe