CID 10058298

1-propanol, 2-(octyloxy)-

Structural Information

Molecular Formula

C₁₁H₂₄O₂

SMILES

CCCCCCCCOC(C)CO

InChI

InChI=1S/C11H24O2/c1-3-4-5-6-7-8-9-13-11(2)10-12/h11-12H,3-10H2,1-2H3

InChIKey

FWFAVISHBVXODB-UHFFFAOYSA-N

Compound name

2-octoxypropan-1-ol

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 0
References: 26
Patents: 188.17763 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]+	189.18491	149.3
[M+Na]+	211.16685	153.8
[M-H]-	187.17035	147.3
[M+NH4]+	206.21145	168.5
[M+K]+	227.14079	152.7
[M+H-H2O]+	171.17489	144.0
[M+HCOO]-	233.17583	169.4
[M+CH3COO]-	247.19148	184.4
[M+Na-2H]-	209.15230	151.8
[M]+	188.17708	152.8
[M]-	188.17818	152.8

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe