CID 45122121

93489-16-8

Structural Information

Molecular Formula

C₈H₁₇NO₂

SMILES

COC1CCC(C(C1)OC)N

InChI

InChI=1S/C8H17NO2/c1-10-6-3-4-7(9)8(5-6)11-2/h6-8H,3-5,9H2,1-2H3

InChIKey

LEZYBMWXRYZCDH-UHFFFAOYSA-N

Compound name

2,4-dimethoxycyclohexan-1-amine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1
Patents: 159.12593 Da
Monoisotopic Mass: 0.0
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]+	160.13321	134.9
[M+Na]+	182.11515	140.6
[M-H]-	158.11865	137.6
[M+NH4]+	177.15975	155.5
[M+K]+	198.08909	140.2
[M+H-H2O]+	142.12319	129.3
[M+HCOO]-	204.12413	156.2
[M+CH3COO]-	218.13978	179.9
[M+Na-2H]-	180.10060	138.5
[M]+	159.12538	132.0
[M]-	159.12648	132.0

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe