CID 141710

Pentadecano-1,14-lactone

Structural Information

Molecular Formula

C₁₅H₂₈O₂

SMILES

CC1CCCCCCCCCCCCC(=O)O1

InChI

InChI=1S/C15H28O2/c1-14-12-10-8-6-4-2-3-5-7-9-11-13-15(16)17-14/h14H,2-13H2,1H3

InChIKey

LVECZGHBXXYWBO-UHFFFAOYSA-N

Compound name

15-methyl-oxacyclopentadecan-2-one

Related CIDs

2D Structure

compound 2d structure

4
Annotation Hits: 0
References: 1671
Patents: 240.20892 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]+	241.216196	157.6
[M+Na]+	263.198138	158.9
[M-H]-	239.201644	158.8
[M+NH4]+	258.242743	170.5
[M+K]+	279.172078	159.2
[M+H-H2O]+	223.206180	154.8
[M+HCOO]-	285.207121	171.6
[M+CH3COO]-	299.222771	183.9
[M+Na-2H]-	261.183586	158.0
[M]+	240.20837142	146.6
[M]-	240.20946858	146.6

Literature stripe

literature stripe

Patent stripe

patents stripe