CID 4167542

Tridecanamide

Structural Information

Molecular Formula

C₁₃H₂₇NO

SMILES

CCCCCCCCCCCCC(=O)N

InChI

InChI=1S/C13H27NO/c1-2-3-4-5-6-7-8-9-10-11-12-13(14)15/h2-12H2,1H3,(H2,14,15)

InChIKey

RSSGSPAYFRXVKG-UHFFFAOYSA-N

Compound name

tridecanamide

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 2
References: 1716
Patents: 213.20926 Da
Monoisotopic Mass: 4.1
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]+	214.21654	157.6
[M+Na]+	236.19848	161.1
[M-H]-	212.20198	156.1
[M+NH4]+	231.24308	175.9
[M+K]+	252.17242	159.0
[M+H-H2O]+	196.20652	151.5
[M+HCOO]-	258.20746	178.9
[M+CH3COO]-	272.22311	194.4
[M+Na-2H]-	234.18393	158.8
[M]+	213.20871	159.8
[M]-	213.20981	159.8

Literature stripe

literature stripe

Patent stripe

patents stripe