CID 56936255

Cis-9,10-epoxynonadecane

Structural Information

Molecular Formula

C₁₉H₃₈O

SMILES

CCCCCCCCCC1C(O1)CCCCCCCC

InChI

InChI=1S/C19H38O/c1-3-5-7-9-11-13-15-17-19-18(20-19)16-14-12-10-8-6-4-2/h18-19H,3-17H2,1-2H3

InChIKey

IDEQNIOEFSEJSA-UHFFFAOYSA-N

Compound name

2-nonyl-3-octyloxirane

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 3
Patents: 282.29227 Da
Monoisotopic Mass: 8.4
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]+	283.299546	175.5
[M+Na]+	305.281488	180.4
[M-H]-	281.284994	178.9
[M+NH4]+	300.326093	186.2
[M+K]+	321.255428	177.3
[M+H-H2O]+	265.289530	167.6
[M+HCOO]-	327.290471	194.8
[M+CH3COO]-	341.306121	209.9
[M+Na-2H]-	303.266936	176.9
[M]+	282.29172142	185.0
[M]-	282.29281858	185.0

Literature stripe

literature stripe

Patent stripe

patents stripe