CID 110680

Sodium cyclopent-2-ene-1-undecanoate

Structural Information

Molecular Formula

C₁₆H₂₈O₂

SMILES

C1CC(C=C1)CCCCCCCCCCC(=O)O

InChI

InChI=1S/C16H28O2/c17-16(18)14-8-6-4-2-1-3-5-7-11-15-12-9-10-13-15/h9,12,15H,1-8,10-11,13-14H2,(H,17,18)

InChIKey

SRELFLQJDOTNLJ-UHFFFAOYSA-N

Compound name

11-cyclopent-2-en-1-ylundecanoic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 5
References: 706
Patents: 252.20892 Da
Monoisotopic Mass: 5.9
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]+	253.21620	166.2
[M+Na]+	275.19814	173.9
[M+NH4]+	270.24274	172.9
[M+K]+	291.17208	168.6
[M-H]-	251.20164	166.1
[M+Na-2H]-	273.18359	168.1
[M]+	252.20837	166.9
[M]-	252.20947	166.9

Literature stripe

literature stripe

Patent stripe

patents stripe