CID 68593

Methyl palmoxirate

Structural Information

Molecular Formula

C₁₈H₃₄O₃

SMILES

CCCCCCCCCCCCCCC1(CO1)C(=O)OC

InChI

InChI=1S/C18H34O3/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-18(16-21-18)17(19)20-2/h3-16H2,1-2H3

InChIKey

RSSDZUNGAWCFPT-UHFFFAOYSA-N

Compound name

methyl 2-tetradecyloxirane-2-carboxylate

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 75
References: 467
Patents: 298.2508 Da
Monoisotopic Mass: 6.8
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]+	299.25808	177.6
[M+Na]+	321.24002	182.7
[M-H]-	297.24352	181.3
[M+NH4]+	316.28462	189.1
[M+K]+	337.21396	181.4
[M+H-H2O]+	281.24806	171.0
[M+HCOO]-	343.24900	196.5
[M+CH3COO]-	357.26465	208.4
[M+Na-2H]-	319.22547	180.1
[M]+	298.25025	188.4
[M]-	298.25135	188.4

Literature stripe

literature stripe

Patent stripe

patents stripe