CID 638303

Methyl palmitelaidate

Structural Information

Molecular Formula

C₁₇H₃₂O₂

SMILES

CCCCCC/C=C/CCCCCCCC(=O)OC

InChI

InChI=1S/C17H32O2/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17(18)19-2/h8-9H,3-7,10-16H2,1-2H3/b9-8+

InChIKey

IZFGRAGOVZCUFB-CMDGGOBGSA-N

Compound name

methyl (E)-hexadec-9-enoate

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 6
References: 1426
Patents: 268.24023 Da
Monoisotopic Mass: 6.5
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]+	269.247506	173.1
[M+Na]+	291.229448	176.3
[M-H]-	267.232954	171.6
[M+NH4]+	286.274053	189.9
[M+K]+	307.203388	173.4
[M+H-H2O]+	251.237490	166.7
[M+HCOO]-	313.238431	193.2
[M+CH3COO]-	327.254081	202.0
[M+Na-2H]-	289.214896	173.1
[M]+	268.23968142	179.3
[M]-	268.24077858	179.3

Literature stripe

literature stripe

Patent stripe

patents stripe