CID 55295498

1,4-oxazepan-6-ol hydrochloride

Structural Information

Molecular Formula

C₅H₁₁NO₂

SMILES

C1COCC(CN1)O

InChI

InChI=1S/C5H11NO2/c7-5-3-6-1-2-8-4-5/h5-7H,1-4H2

InChIKey

AJQUDIYIICBQDR-UHFFFAOYSA-N

Compound name

1,4-oxazepan-6-ol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 107
Patents: 117.07898 Da
Monoisotopic Mass: -1.2
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]+	118.08626	118.1
[M+Na]+	140.06820	121.2
[M-H]-	116.07170	118.7
[M+NH4]+	135.11280	134.8
[M+K]+	156.04214	125.3
[M+H-H2O]+	100.07624	112.3
[M+HCOO]-	162.07718	134.2
[M+CH3COO]-	176.09283	164.6
[M+Na-2H]-	138.05365	125.0
[M]+	117.07843	109.5
[M]-	117.07953	109.5

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe