CID 59743283

Tert-butyl[(oxan-4-yl)methyl]amine hydrochloride

Structural Information

Molecular Formula

C₁₀H₂₁NO

SMILES

CC(C)(C)NCC1CCOCC1

InChI

InChI=1S/C10H21NO/c1-10(2,3)11-8-9-4-6-12-7-5-9/h9,11H,4-8H2,1-3H3

InChIKey

ATDFACRIJOKTJC-UHFFFAOYSA-N

Compound name

2-methyl-N-(oxan-4-ylmethyl)propan-2-amine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 57
Patents: 171.16231 Da
Monoisotopic Mass: 1.4
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]+	172.169586	141.5
[M+Na]+	194.151528	145.0
[M-H]-	170.155034	144.6
[M+NH4]+	189.196133	160.2
[M+K]+	210.125468	145.4
[M+H-H2O]+	154.159570	135.9
[M+HCOO]-	216.160511	160.1
[M+CH3COO]-	230.176161	181.9
[M+Na-2H]-	192.136976	148.1
[M]+	171.16176142	138.2
[M]-	171.16285858	138.2

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe