CID 985

Palmitic acid

Structural Information

Molecular Formula

C₁₆H₃₂O₂

SMILES

CCCCCCCCCCCCCCCC(=O)O

InChI

InChI=1S/C16H32O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16(17)18/h2-15H2,1H3,(H,17,18)

InChIKey

IPCSVZSSVZVIGE-UHFFFAOYSA-N

Compound name

hexadecanoic acid

Related CIDs

2D Structure

compound 2d structure

10
Annotation Hits: 11152
References: 138060
Patents: 256.24023 Da
Monoisotopic Mass: 6.4
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]+	257.247506	170.4
[M+Na]+	279.229448	173.1
[M-H]-	255.232954	167.4
[M+NH4]+	274.274053	186.8
[M+K]+	295.203388	170.1
[M+H-H2O]+	239.237490	164.2
[M+HCOO]-	301.238431	189.0
[M+CH3COO]-	315.254081	198.5
[M+Na-2H]-	277.214896	170.3
[M]+	256.23968142	175.1
[M]-	256.24077858	175.1

Literature stripe

literature stripe

Patent stripe

patents stripe