CID 6454744

((isotridecyloxy)methyl)oxirane

Structural Information

Molecular Formula

C₁₆H₃₂O₂

SMILES

CC(C)CCCCCCCCCCOCC1CO1

InChI

InChI=1S/C16H32O2/c1-15(2)11-9-7-5-3-4-6-8-10-12-17-13-16-14-18-16/h15-16H,3-14H2,1-2H3

InChIKey

OIPZQYANGIDALK-UHFFFAOYSA-N

Compound name

2-(11-methyldodecoxymethyl)oxirane

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 90
Patents: 256.24023 Da
Monoisotopic Mass: 5.6
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]+	257.247506	167.2
[M+Na]+	279.229448	172.2
[M-H]-	255.232954	170.9
[M+NH4]+	274.274053	178.5
[M+K]+	295.203388	170.6
[M+H-H2O]+	239.237490	159.6
[M+HCOO]-	301.238431	186.7
[M+CH3COO]-	315.254081	202.8
[M+Na-2H]-	277.214896	169.6
[M]+	256.23968142	176.1
[M]-	256.24077858	176.1

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe