CID 67266883

484638-83-7

Structural Information

Molecular Formula

C₁₂H₂₄N₂O₂

SMILES

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

InChI

InChI=1S/C12H24N2O2/c1-12(2,3)16-11(15)14-8-6-5-7-10(9-14)13-4/h10,13H,5-9H2,1-4H3

InChIKey

BLSRUKYVCUYXKP-UHFFFAOYSA-N

Compound name

tert-butyl 3-(methylamino)azepane-1-carboxylate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 12
Patents: 228.18378 Da
Monoisotopic Mass: 1.6
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]+	229.191056	150.3
[M+Na]+	251.172998	152.4
[M-H]-	227.176504	152.9
[M+NH4]+	246.217603	165.8
[M+K]+	267.146938	156.6
[M+H-H2O]+	211.181040	143.7
[M+HCOO]-	273.181981	166.9
[M+CH3COO]-	287.197631	193.6
[M+Na-2H]-	249.158446	153.2
[M]+	228.18323142	145.0
[M]-	228.18432858	145.0

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe