CID 85192

3-(octyloxy)propan-1-amine

Structural Information

Molecular Formula

C₁₁H₂₅NO

SMILES

CCCCCCCCOCCCN

InChI

InChI=1S/C11H25NO/c1-2-3-4-5-6-7-10-13-11-8-9-12/h2-12H2,1H3

InChIKey

RDCAZFAKCIEASQ-UHFFFAOYSA-N

Compound name

3-octoxypropan-1-amine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 701
Patents: 187.19362 Da
Monoisotopic Mass: 2.9
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]+	188.20090	149.0
[M+Na]+	210.18284	153.3
[M-H]-	186.18634	147.7
[M+NH4]+	205.22744	168.5
[M+K]+	226.15678	151.8
[M+H-H2O]+	170.19088	143.1
[M+HCOO]-	232.19182	171.8
[M+CH3COO]-	246.20747	188.5
[M+Na-2H]-	208.16829	152.6
[M]+	187.19307	151.8
[M]-	187.19417	151.8

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe