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: 11
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]+	229.19106	153.3
[M+Na]+	251.17300	159.4
[M+NH4]+	246.21760	159.0
[M+K]+	267.14694	157.0
[M-H]-	227.17650	153.1
[M+Na-2H]-	249.15845	156.1
[M]+	228.18323	153.8
[M]-	228.18433	153.8

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe