CID 20150941

Schembl8355661

Structural Information

Molecular Formula

C₁₆H₃₃NO

SMILES

CC(C)CCCCCCCCCCCCC(=O)N

InChI

InChI=1S/C16H33NO/c1-15(2)13-11-9-7-5-3-4-6-8-10-12-14-16(17)18/h15H,3-14H2,1-2H3,(H2,17,18)

InChIKey

OIJPFLBLDNXHOL-UHFFFAOYSA-N

Compound name

14-methylpentadecanamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 90
Patents: 255.25621 Da
Monoisotopic Mass: 6.2
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]+	256.26349	172.1
[M+Na]+	278.24543	174.1
[M-H]-	254.24893	170.0
[M+NH4]+	273.29003	188.6
[M+K]+	294.21937	171.6
[M+H-H2O]+	238.25347	165.4
[M+HCOO]-	300.25441	191.4
[M+CH3COO]-	314.27006	204.2
[M+Na-2H]-	276.23088	170.3
[M]+	255.25566	174.7
[M]-	255.25676	174.7

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe