CID 23068067

609789-17-5

Structural Information

Molecular Formula

C₁₁H₂₂N₂O₂

SMILES

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

InChI

InChI=1S/C11H22N2O2/c1-11(2,3)15-10(14)13-7-5-4-6-9(12)8-13/h9H,4-8,12H2,1-3H3

InChIKey

WXWILWLHHQGUCX-UHFFFAOYSA-N

Compound name

tert-butyl 3-aminoazepane-1-carboxylate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 329
Patents: 214.16812 Da
Monoisotopic Mass: 1.1
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]+	215.17540	149.1
[M+Na]+	237.15734	155.1
[M+NH4]+	232.20194	154.7
[M+K]+	253.13128	153.1
[M-H]-	213.16084	148.7
[M+Na-2H]-	235.14279	151.7
[M]+	214.16757	149.5
[M]-	214.16867	149.5

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe