CID 11551397

Hexyloxodecanamide mea

Structural Information

Molecular Formula

C₁₈H₃₅NO₃

SMILES

CCCCCCCC(=O)C(CCCCCC)C(=O)NCCO

InChI

InChI=1S/C18H35NO3/c1-3-5-7-9-11-13-17(21)16(12-10-8-6-4-2)18(22)19-14-15-20/h16,20H,3-15H2,1-2H3,(H,19,22)

InChIKey

OKPVDVORYUWJHI-UHFFFAOYSA-N

Compound name

2-hexyl-N-(2-hydroxyethyl)-3-oxodecanamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 2
Patents: 313.2617 Da
Monoisotopic Mass: 4.8
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]+	314.268976	185.7
[M+Na]+	336.250918	186.5
[M-H]-	312.254424	182.5
[M+NH4]+	331.295523	199.2
[M+K]+	352.224858	183.9
[M+H-H2O]+	296.258960	178.7
[M+HCOO]-	358.259901	203.2
[M+CH3COO]-	372.275551	211.5
[M+Na-2H]-	334.236366	182.3
[M]+	313.26115142	189.7
[M]-	313.26224858	189.7

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe