CID 165729375

2825005-21-6

Structural Information

Molecular Formula

C₆H₁₃NO₃

SMILES

C1COCC(CN1)(CO)O

InChI

InChI=1S/C6H13NO3/c8-4-6(9)3-7-1-2-10-5-6/h7-9H,1-5H2

InChIKey

XOVRYZFYAUOIHN-UHFFFAOYSA-N

Compound name

6-(hydroxymethyl)-1,4-oxazepan-6-ol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 147.08954 Da
Monoisotopic Mass: -2.1
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]+	148.09682	127.0
[M+Na]+	170.07876	134.1
[M+NH4]+	165.12336	134.3
[M+K]+	186.05270	130.8
[M-H]-	146.08226	127.0
[M+Na-2H]-	168.06421	131.4
[M]+	147.08899	127.8
[M]-	147.09009	127.8

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.