CID 18962828

68443-85-6

Structural Information

Molecular Formula

C₁₈H₃₇NO

SMILES

CC(C)CCCCCCCCCCCCCCC(=O)N

InChI

InChI=1S/C18H37NO/c1-17(2)15-13-11-9-7-5-3-4-6-8-10-12-14-16-18(19)20/h17H,3-16H2,1-2H3,(H2,19,20)

InChIKey

KZVIUXKOLXVBPC-UHFFFAOYSA-N

Compound name

16-methylheptadecanamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 3509
Patents: 283.2875 Da
Monoisotopic Mass: 7.3
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]+	284.29478	181.1
[M+Na]+	306.27672	182.2
[M-H]-	282.28022	178.6
[M+NH4]+	301.32132	196.4
[M+K]+	322.25066	179.2
[M+H-H2O]+	266.28476	174.0
[M+HCOO]-	328.28570	199.7
[M+CH3COO]-	342.30135	210.2
[M+Na-2H]-	304.26217	178.2
[M]+	283.28695	184.5
[M]-	283.28805	184.5

Literature stripe

literature stripe

Patent stripe

patents stripe