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

3
Annotation Hits: 0
References: 3692
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]+	188.20090	150.1
[M+Na]+	210.18284	154.1
[M-H]-	186.18634	148.9
[M+NH4]+	205.22744	169.5
[M+K]+	226.15678	153.1
[M+H-H2O]+	170.19088	144.3
[M+HCOO]-	232.19182	171.9
[M+CH3COO]-	246.20747	189.3
[M+Na-2H]-	208.16829	152.3
[M]+	187.19307	152.2
[M]-	187.19417	152.2

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe