CID 65080772

N-(oxepan-4-ylidene)hydroxylamine

Structural Information

Molecular Formula

C₆H₁₁NO₂

SMILES

C1C/C(=N\O)/CCOC1

InChI

InChI=1S/C6H11NO2/c8-7-6-2-1-4-9-5-3-6/h8H,1-5H2/b7-6+

InChIKey

NPUQTEMTXIKRCN-VOTSOKGWSA-N

Compound name

(NE)-N-(oxepan-4-ylidene)hydroxylamine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 129.07898 Da
Monoisotopic Mass: 0.1
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]+	130.08626	120.7
[M+Na]+	152.06820	123.6
[M-H]-	128.07170	125.3
[M+NH4]+	147.11280	139.3
[M+K]+	168.04214	128.8
[M+H-H2O]+	112.07624	115.5
[M+HCOO]-	174.07718	141.7
[M+CH3COO]-	188.09283	173.0
[M+Na-2H]-	150.05365	128.4
[M]+	129.07843	114.1
[M]-	129.07953	114.1

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.