CID 11770595

6-acetamidotridecane

Structural Information

Molecular Formula

C₁₅H₃₁NO

SMILES

CCCCCCCC(CCCCC)NC(=O)C

InChI

InChI=1S/C15H31NO/c1-4-6-8-9-11-13-15(16-14(3)17)12-10-7-5-2/h15H,4-13H2,1-3H3,(H,16,17)

InChIKey

RMTOFKWPCZJSGD-UHFFFAOYSA-N

Compound name

N-tridecan-6-ylacetamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 2
Patents: 241.24057 Da
Monoisotopic Mass: 5.4
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]+	242.247846	167.4
[M+Na]+	264.229788	169.9
[M-H]-	240.233294	166.1
[M+NH4]+	259.274393	184.8
[M+K]+	280.203728	168.1
[M+H-H2O]+	224.237830	161.0
[M+HCOO]-	286.238771	187.7
[M+CH3COO]-	300.254421	201.2
[M+Na-2H]-	262.215236	167.2
[M]+	241.24002142	170.6
[M]-	241.24111858	170.6

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe