CID 13685443

1-propanol, 2-(tetradecyloxy)-

Structural Information

Molecular Formula

C₁₇H₃₆O₂

SMILES

CCCCCCCCCCCCCCOC(C)CO

InChI

InChI=1S/C17H36O2/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-19-17(2)16-18/h17-18H,3-16H2,1-2H3

InChIKey

OZTHFQSNGNJBBB-UHFFFAOYSA-N

Compound name

2-tetradecoxypropan-1-ol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 2
Patents: 272.27155 Da
Monoisotopic Mass: 6.5
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]+	273.278826	176.6
[M+Na]+	295.260768	178.5
[M-H]-	271.264274	173.4
[M+NH4]+	290.305373	192.4
[M+K]+	311.234708	175.9
[M+H-H2O]+	255.268810	170.1
[M+HCOO]-	317.269751	194.7
[M+CH3COO]-	331.285401	202.4
[M+Na-2H]-	293.246216	175.9
[M]+	272.27100142	182.4
[M]-	272.27209858	182.4

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe