CID 121810

1-propanamine, 3-(isononyloxy)-

Structural Information

Molecular Formula

C₁₂H₂₇NO

SMILES

CC(C)CCCCCCOCCCN

InChI

InChI=1S/C12H27NO/c1-12(2)8-5-3-4-6-10-14-11-7-9-13/h12H,3-11,13H2,1-2H3

InChIKey

HYEOYFUOERFWIX-UHFFFAOYSA-N

Compound name

3-(7-methyloctoxy)propan-1-amine

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 0
References: 1051
Patents: 201.20926 Da
Monoisotopic Mass: 3.2
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]+	202.21654	154.7
[M+Na]+	224.19848	158.3
[M-H]-	200.20198	153.3
[M+NH4]+	219.24308	173.5
[M+K]+	240.17242	157.0
[M+H-H2O]+	184.20652	148.6
[M+HCOO]-	246.20746	176.1
[M+CH3COO]-	260.22311	192.3
[M+Na-2H]-	222.18393	156.3
[M]+	201.20871	157.2
[M]-	201.20981	157.2

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe