CID 5743617

((tridecyloxy)methyl)oxirane

Structural Information

Molecular Formula

C₁₆H₃₂O₂

SMILES

CCCCCCCCCCCCCOCC1CO1

InChI

InChI=1S/C16H32O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-17-14-16-15-18-16/h16H,2-15H2,1H3

InChIKey

ZCZCZLVSKGCRTD-UHFFFAOYSA-N

Compound name

2-(tridecoxymethyl)oxirane

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1595
Patents: 256.24023 Da
Monoisotopic Mass: 5.9
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]+	257.24751	161.7
[M+Na]+	279.22945	172.3
[M+NH4]+	274.27405	169.3
[M+K]+	295.20339	166.4
[M-H]-	255.23295	170.4
[M+Na-2H]-	277.21490	167.1
[M]+	256.23968	166.7
[M]-	256.24078	166.7

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe