CID 21499

5397-31-9

Structural Information

Molecular Formula

C₁₁H₂₅NO

SMILES

CCCCC(CC)COCCCN

InChI

InChI=1S/C11H25NO/c1-3-5-7-11(4-2)10-13-9-6-8-12/h11H,3-10,12H2,1-2H3

InChIKey

DVFGEIYOLIFSRX-UHFFFAOYSA-N

Compound name

3-(2-ethylhexoxy)propan-1-amine

Related CIDs

2D Structure

compound 2d structure

4
Annotation Hits: 0
References: 3468
Patents: 187.19362 Da
Monoisotopic Mass: 2.6
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]+	188.200896	150.1
[M+Na]+	210.182838	154.1
[M-H]-	186.186344	148.9
[M+NH4]+	205.227443	169.5
[M+K]+	226.156778	153.1
[M+H-H2O]+	170.190880	144.3
[M+HCOO]-	232.191821	171.9
[M+CH3COO]-	246.207471	189.3
[M+Na-2H]-	208.168286	152.3
[M]+	187.19307142	152.2
[M]-	187.19416858	152.2

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe