CID 7984

109-29-5

Structural Information

Molecular Formula

C₁₆H₃₀O₂

SMILES

C1CCCCCCCC(=O)OCCCCCCC1

InChI

InChI=1S/C16H30O2/c17-16-14-12-10-8-6-4-2-1-3-5-7-9-11-13-15-18-16/h1-15H2

InChIKey

LOKPJYNMYCVCRM-UHFFFAOYSA-N

Compound name

oxacycloheptadecan-2-one

Related CIDs

2D Structure

compound 2d structure

5
Annotation Hits: 11
References: 5033
Patents: 254.22458 Da
Monoisotopic Mass: 6.3
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]+	255.231856	161.7
[M+Na]+	277.213798	161.0
[M-H]-	253.217304	162.7
[M+NH4]+	272.258403	173.3
[M+K]+	293.187738	161.3
[M+H-H2O]+	237.221840	158.6
[M+HCOO]-	299.222781	174.4
[M+CH3COO]-	313.238431	183.9
[M+Na-2H]-	275.199246	161.8
[M]+	254.22403142	148.2
[M]-	254.22512858	148.2

Literature stripe

literature stripe

Patent stripe

patents stripe