CID 118716

Octadecyl decanoate

Structural Information

Molecular Formula

C₂₈H₅₆O₂

SMILES

CCCCCCCCCCCCCCCCCCOC(=O)CCCCCCCCC

InChI

InChI=1S/C28H56O2/c1-3-5-7-9-11-12-13-14-15-16-17-18-19-21-23-25-27-30-28(29)26-24-22-20-10-8-6-4-2/h3-27H2,1-2H3

InChIKey

ZKGRELFDBYFQAZ-UHFFFAOYSA-N

Compound name

octadecyl decanoate

Related CIDs

2D Structure

compound 2d structure

3
Annotation Hits: 1
References: 659
Patents: 424.42804 Da
Monoisotopic Mass: 13.0
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]+	425.435316	223.3
[M+Na]+	447.417258	221.5
[M-H]-	423.420764	219.4
[M+NH4]+	442.461863	224.3
[M+K]+	463.391198	216.3
[M+H-H2O]+	407.425300	214.6
[M+HCOO]-	469.426241	235.8
[M+CH3COO]-	483.441891	235.9
[M+Na-2H]-	445.402706	217.4
[M]+	424.42749142	234.4
[M]-	424.42858858	234.4

Literature stripe

literature stripe

Patent stripe

patents stripe