CID 20230572

2470438-13-0

Structural Information

Molecular Formula

C₁₀H₂₃NO

SMILES

CC(C)(C)OCCCCCCN

InChI

InChI=1S/C10H23NO/c1-10(2,3)12-9-7-5-4-6-8-11/h4-9,11H2,1-3H3

InChIKey

KILVKPUQTVGKKX-UHFFFAOYSA-N

Compound name

6-[(2-methylpropan-2-yl)oxy]hexan-1-amine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 10
Patents: 173.17796 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]+	174.18524	145.1
[M+Na]+	196.16718	150.4
[M-H]-	172.17068	144.4
[M+NH4]+	191.21178	165.4
[M+K]+	212.14112	149.5
[M+H-H2O]+	156.17522	140.2
[M+HCOO]-	218.17616	166.7
[M+CH3COO]-	232.19181	185.1
[M+Na-2H]-	194.15263	149.8
[M]+	173.17741	147.0
[M]-	173.17851	147.0

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe