CID 9834713

1-propanol, 2-(dodecyloxy)-

Structural Information

Molecular Formula

C₁₅H₃₂O₂

SMILES

CCCCCCCCCCCCOC(C)CO

InChI

InChI=1S/C15H32O2/c1-3-4-5-6-7-8-9-10-11-12-13-17-15(2)14-16/h15-16H,3-14H2,1-2H3

InChIKey

UKCFWUCWNZTUPT-UHFFFAOYSA-N

Compound name

2-dodecoxypropan-1-ol

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 0
References: 18
Patents: 244.24023 Da
Monoisotopic Mass: 5.4
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]+	245.24751	164.6
[M+Na]+	267.22945	172.6
[M+NH4]+	262.27405	170.9
[M+K]+	283.20339	165.6
[M-H]-	243.23295	163.2
[M+Na-2H]-	265.21490	165.6
[M]+	244.23968	165.0
[M]-	244.24078	165.0

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe