CID 94896

N-butyldodecanamide

Structural Information

Molecular Formula

C₁₆H₃₃NO

SMILES

CCCCCCCCCCCC(=O)NCCCC

InChI

InChI=1S/C16H33NO/c1-3-5-7-8-9-10-11-12-13-14-16(18)17-15-6-4-2/h3-15H2,1-2H3,(H,17,18)

InChIKey

NTHVNXBUGUHNAH-UHFFFAOYSA-N

Compound name

N-butyldodecanamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 245
Patents: 255.25621 Da
Monoisotopic Mass: 6.0
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]+	256.26349	169.1
[M+Na]+	278.24543	176.6
[M+NH4]+	273.29003	175.4
[M+K]+	294.21937	168.9
[M-H]-	254.24893	168.6
[M+Na-2H]-	276.23088	170.4
[M]+	255.25566	169.7
[M]-	255.25676	169.7

Literature stripe

literature stripe

Patent stripe

patents stripe