CID 15495976

(1-methoxycyclooctyl)methanamine

Structural Information

Molecular Formula

C₁₀H₂₁NO

SMILES

COC1(CCCCCCC1)CN

InChI

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

InChIKey

BOXHPWUTUFLAIK-UHFFFAOYSA-N

Compound name

(1-methoxycyclooctyl)methanamine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 171.16231 Da
Monoisotopic Mass: 1.8
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	150.8
[M+Na]+	194.151528	154.4
[M-H]-	170.155034	152.1
[M+NH4]+	189.196133	160.6
[M+K]+	210.125468	155.1
[M+H-H2O]+	154.159570	147.5
[M+HCOO]-	216.160511	159.8
[M+CH3COO]-	230.176161	221.2
[M+Na-2H]-	192.136976	151.0
[M]+	171.16176142	148.4
[M]-	171.16285858	148.4

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.