CID 84716693

Methyl 1,4-oxazepane-6-carboxylate hydrochloride

Structural Information

Molecular Formula

C₇H₁₃NO₃

SMILES

COC(=O)C1CNCCOC1

InChI

InChI=1S/C7H13NO3/c1-10-7(9)6-4-8-2-3-11-5-6/h6,8H,2-5H2,1H3

InChIKey

NABSICLZLAXRSZ-UHFFFAOYSA-N

Compound name

methyl 1,4-oxazepane-6-carboxylate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 3
Patents: 159.08954 Da
Monoisotopic Mass: -0.7
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]+	160.09682	132.3
[M+Na]+	182.07876	139.8
[M+NH4]+	177.12336	138.4
[M+K]+	198.05270	137.8
[M-H]-	158.08226	132.8
[M+Na-2H]-	180.06421	135.5
[M]+	159.08899	133.2
[M]-	159.09009	133.2

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe