CID 192766

Palmitoyl sarcosine

Structural Information

Molecular Formula

C₁₉H₃₇NO₃

SMILES

CCCCCCCCCCCCCCCC(=O)N(C)CC(=O)O

InChI

InChI=1S/C19H37NO3/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-18(21)20(2)17-19(22)23/h3-17H2,1-2H3,(H,22,23)

InChIKey

LFJJOPDNPVFCNZ-UHFFFAOYSA-N

Compound name

2-[hexadecanoyl(methyl)amino]acetic acid

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 2
References: 6288
Patents: 327.27734 Da
Monoisotopic Mass: 6.6
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]+	328.28462	187.1
[M+Na]+	350.26656	192.3
[M+NH4]+	345.31116	191.1
[M+K]+	366.24050	186.6
[M-H]-	326.27006	184.7
[M+Na-2H]-	348.25201	185.8
[M]+	327.27679	186.6
[M]-	327.27789	186.6

Literature stripe

literature stripe

Patent stripe

patents stripe