CID 22933617

Tert-butyl 3-hydroxyazepane-1-carboxylate

Structural Information

Molecular Formula

C₁₁H₂₁NO₃

SMILES

CC(C)(C)OC(=O)N1CCCCC(C1)O

InChI

InChI=1S/C11H21NO3/c1-11(2,3)15-10(14)12-7-5-4-6-9(13)8-12/h9,13H,4-8H2,1-3H3

InChIKey

YLXNIRRSRXUTCK-UHFFFAOYSA-N

Compound name

tert-butyl 3-hydroxyazepane-1-carboxylate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 88
Patents: 215.15215 Da
Monoisotopic Mass: 1.3
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]+	216.15943	147.6
[M+Na]+	238.14137	154.2
[M+NH4]+	233.18597	153.1
[M+K]+	254.11531	152.4
[M-H]-	214.14487	146.3
[M+Na-2H]-	236.12682	150.1
[M]+	215.15160	147.9
[M]-	215.15270	147.9

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe