CID 52324229

1251232-70-8

Structural Information

Molecular Formula

C₁₁H₂₃NO

SMILES

C1CCC(CC1)OCCCCCN

InChI

InChI=1S/C11H23NO/c12-9-5-2-6-10-13-11-7-3-1-4-8-11/h11H,1-10,12H2

InChIKey

JSYZYYRPCYNZCR-UHFFFAOYSA-N

Compound name

5-cyclohexyloxypentan-1-amine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 10
Patents: 185.17796 Da
Monoisotopic Mass: 2.0
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]+	186.185236	146.0
[M+Na]+	208.167178	148.5
[M-H]-	184.170684	147.4
[M+NH4]+	203.211783	164.9
[M+K]+	224.141118	146.9
[M+H-H2O]+	168.175220	139.5
[M+HCOO]-	230.176161	166.1
[M+CH3COO]-	244.191811	184.7
[M+Na-2H]-	206.152626	149.3
[M]+	185.17741142	142.0
[M]-	185.17850858	142.0

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe