CID 18946151

Tert-butyl 4-aminoazepane-1-carboxylate

Structural Information

Molecular Formula

C₁₁H₂₂N₂O₂

SMILES

CC(C)(C)OC(=O)N1CCCC(CC1)N

InChI

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

InChIKey

YCOKHOLOSGJEGL-UHFFFAOYSA-N

Compound name

tert-butyl 4-aminoazepane-1-carboxylate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 359
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	146.1
[M+Na]+	237.15734	148.6
[M-H]-	213.16084	148.4
[M+NH4]+	232.20194	161.9
[M+K]+	253.13128	152.8
[M+H-H2O]+	197.16538	139.7
[M+HCOO]-	259.16632	162.4
[M+CH3COO]-	273.18197	190.2
[M+Na-2H]-	235.14279	148.5
[M]+	214.16757	139.5
[M]-	214.16867	139.5

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe