CID 83905890

1-[1-(methoxymethyl)cycloheptyl]methanamine

Structural Information

Molecular Formula

C₁₀H₂₁NO

SMILES

COCC1(CCCCCC1)CN

InChI

InChI=1S/C10H21NO/c1-12-9-10(8-11)6-4-2-3-5-7-10/h2-9,11H2,1H3

InChIKey

IOZMQFJHRGQWEK-UHFFFAOYSA-N

Compound name

[1-(methoxymethyl)cycloheptyl]methanamine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 171.16231 Da
Monoisotopic Mass: 1.9
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	136.6
[M+Na]+	194.151528	138.6
[M-H]-	170.155034	139.7
[M+NH4]+	189.196133	156.5
[M+K]+	210.125468	141.4
[M+H-H2O]+	154.159570	131.5
[M+HCOO]-	216.160511	156.2
[M+CH3COO]-	230.176161	183.0
[M+Na-2H]-	192.136976	141.3
[M]+	171.16176142	129.5
[M]-	171.16285858	129.5

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.