CID 10947

Muscone

Structural Information

Molecular Formula

C₁₆H₃₀O

SMILES

CC1CCCCCCCCCCCCC(=O)C1

InChI

InChI=1S/C16H30O/c1-15-12-10-8-6-4-2-3-5-7-9-11-13-16(17)14-15/h15H,2-14H2,1H3

InChIKey

ALHUZKCOMYUFRB-UHFFFAOYSA-N

Compound name

3-methylcyclopentadecan-1-one

Related CIDs

2D Structure

compound 2d structure

6
Annotation Hits: 113
References: 7522
Patents: 238.22966 Da
Monoisotopic Mass: 6.2
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]+	239.23694	159.4
[M+Na]+	261.21888	168.4
[M+NH4]+	256.26348	167.3
[M+K]+	277.19282	160.8
[M-H]-	237.22238	163.1
[M+Na-2H]-	259.20433	164.4
[M]+	238.22911	161.2
[M]-	238.23021	161.2

Literature stripe

literature stripe

Patent stripe

patents stripe