CID 80603984

(1-methylcyclooctyl)methanamine

Structural Information

Molecular Formula

C₁₀H₂₁N

SMILES

CC1(CCCCCCC1)CN

InChI

InChI=1S/C10H21N/c1-10(9-11)7-5-3-2-4-6-8-10/h2-9,11H2,1H3

InChIKey

MIBUYJFUZBQMCA-UHFFFAOYSA-N

Compound name

(1-methylcyclooctyl)methanamine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 6
Patents: 155.1674 Da
Monoisotopic Mass: 3.1
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]+	156.17468	149.2
[M+Na]+	178.15662	152.9
[M-H]-	154.16012	150.5
[M+NH4]+	173.20122	159.3
[M+K]+	194.13056	153.3
[M+H-H2O]+	138.16466	146.0
[M+HCOO]-	200.16560	158.1
[M+CH3COO]-	214.18125	220.4
[M+Na-2H]-	176.14207	149.4
[M]+	155.16685	146.2
[M]-	155.16795	146.2

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe