CID 11550768

Schembl4276612

Structural Information

Molecular Formula

C₁₅H₂₇NO₃

SMILES

CCCCCCCCCCC(=O)NC1CCOC1=O

InChI

InChI=1S/C15H27NO3/c1-2-3-4-5-6-7-8-9-10-14(17)16-13-11-12-19-15(13)18/h13H,2-12H2,1H3,(H,16,17)

InChIKey

YAWJNUREPGJHSG-UHFFFAOYSA-N

Compound name

N-(2-oxooxolan-3-yl)undecanamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 3
Patents: 269.1991 Da
Monoisotopic Mass: 4.2
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]+	270.206376	169.3
[M+Na]+	292.188318	172.2
[M-H]-	268.191824	171.8
[M+NH4]+	287.232923	185.7
[M+K]+	308.162258	170.9
[M+H-H2O]+	252.196360	162.5
[M+HCOO]-	314.197301	189.7
[M+CH3COO]-	328.212951	200.8
[M+Na-2H]-	290.173766	169.4
[M]+	269.19855142	171.5
[M]-	269.19964858	171.5

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe