CID 12377464

4-cyclopentadecyn-1-one

Structural Information

Molecular Formula

C₁₅H₂₄O

SMILES

C1CCCCCC(=O)CCC#CCCCC1

InChI

InChI=1S/C15H24O/c16-15-13-11-9-7-5-3-1-2-4-6-8-10-12-14-15/h1-7,9,11-14H2

InChIKey

LAUIIEUKTSCRDN-UHFFFAOYSA-N

Compound name

cyclopentadec-4-yn-1-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 10
Patents: 220.18271 Da
Monoisotopic Mass: 4.8
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]+	221.18999	155.8
[M+Na]+	243.17193	164.7
[M+NH4]+	238.21653	163.8
[M+K]+	259.14587	157.0
[M-H]-	219.17543	159.3
[M+Na-2H]-	241.15738	161.2
[M]+	220.18216	157.5
[M]-	220.18326	157.5

Literature stripe

literature stripe

Patent stripe

patents stripe