CID 20260321

59012-60-1

Structural Information

Molecular Formula

C₂₆H₅₄O

SMILES

CCCCCCCCCCCCCCOCCCCCCCCCCCC

InChI

InChI=1S/C26H54O/c1-3-5-7-9-11-13-15-16-18-20-22-24-26-27-25-23-21-19-17-14-12-10-8-6-4-2/h3-26H2,1-2H3

InChIKey

BHIWXJOYTUCFCR-UHFFFAOYSA-N

Compound name

1-dodecoxytetradecane

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 0
References: 279
Patents: 382.41748 Da
Monoisotopic Mass: 12.3
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]+	383.42476	211.9
[M+Na]+	405.40670	210.8
[M-H]-	381.41020	208.2
[M+NH4]+	400.45130	224.0
[M+K]+	421.38064	205.7
[M+H-H2O]+	365.41474	203.5
[M+HCOO]-	427.41568	229.2
[M+CH3COO]-	441.43133	229.1
[M+Na-2H]-	403.39215	208.2
[M]+	382.41693	222.2
[M]-	382.41803	222.2

Literature stripe

literature stripe

Patent stripe

patents stripe