CID 54131551

329925-33-9

Structural Information

Molecular Formula

C₁₅H₂₆O₂

SMILES

CC1CCOC(=O)CCCCCCCC=CC1

InChI

InChI=1S/C15H26O2/c1-14-10-8-6-4-2-3-5-7-9-11-15(16)17-13-12-14/h6,8,14H,2-5,7,9-13H2,1H3

InChIKey

NUSRNVWNTPMBJA-UHFFFAOYSA-N

Compound name

13-methyl-1-oxacyclopentadec-10-en-2-one

Related CIDs

2D Structure

compound 2d structure

3
Annotation Hits: 0
References: 326
Patents: 238.19328 Da
Monoisotopic Mass: 4.9
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]+	239.20056	155.6
[M+Na]+	261.18250	157.9
[M-H]-	237.18600	157.2
[M+NH4]+	256.22710	168.7
[M+K]+	277.15644	158.0
[M+H-H2O]+	221.19054	152.8
[M+HCOO]-	283.19148	171.1
[M+CH3COO]-	297.20713	183.5
[M+Na-2H]-	259.16795	157.1
[M]+	238.19273	146.0
[M]-	238.19383	146.0

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe