CID 10988342

Oxacyclohexadecen-2-one

Structural Information

Molecular Formula

C₁₅H₂₆O₂

SMILES

C1CCCCCCOC(=O)/C=C\CCCCC1

InChI

InChI=1S/C15H26O2/c16-15-13-11-9-7-5-3-1-2-4-6-8-10-12-14-17-15/h11,13H,1-10,12,14H2/b13-11-

InChIKey

KHLFMZDGADSQGR-QBFSEMIESA-N

Compound name

(3Z)-1-oxacyclohexadec-3-en-2-one

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 0
References: 1502
Patents: 238.19328 Da
Monoisotopic Mass: 5.7
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]+	239.20056	156.0
[M+Na]+	261.18250	165.6
[M+NH4]+	256.22710	163.5
[M+K]+	277.15644	158.8
[M-H]-	237.18600	160.9
[M+Na-2H]-	259.16795	161.7
[M]+	238.19273	158.3
[M]-	238.19383	158.3

Literature stripe

literature stripe

Patent stripe

patents stripe