CID 105846

1,2-epoxynonadecane

Structural Information

Molecular Formula

C₁₉H₃₈O

SMILES

CCCCCCCCCCCCCCCCCC1CO1

InChI

InChI=1S/C19H38O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-19-18-20-19/h19H,2-18H2,1H3

InChIKey

CEUXMUYHMURJFZ-UHFFFAOYSA-N

Compound name

2-heptadecyloxirane

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 0
References: 648
Patents: 282.29227 Da
Monoisotopic Mass: 9.0
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]+	283.29955	175.8
[M+Na]+	305.28149	179.8
[M-H]-	281.28499	178.9
[M+NH4]+	300.32609	186.2
[M+K]+	321.25543	176.9
[M+H-H2O]+	265.28953	167.7
[M+HCOO]-	327.29047	195.1
[M+CH3COO]-	341.30612	208.8
[M+Na-2H]-	303.26694	177.9
[M]+	282.29172	185.0
[M]-	282.29282	185.0

Literature stripe

literature stripe

Patent stripe

patents stripe