CID 5315941

Civetone

Structural Information

Molecular Formula

C₁₇H₃₀O

SMILES

C1CCC/C=C\CCCCCCCC(=O)CCC1

InChI

InChI=1S/C17H30O/c18-17-15-13-11-9-7-5-3-1-2-4-6-8-10-12-14-16-17/h1-2H,3-16H2/b2-1-

InChIKey

ZKVZSBSZTMPBQR-UPHRSURJSA-N

Compound name

(9Z)-cycloheptadec-9-en-1-one

Related CIDs

2D Structure

compound 2d structure

6
Annotation Hits: 9
References: 3305
Patents: 250.22966 Da
Monoisotopic Mass: 6.1
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]+	251.236936	161.6
[M+Na]+	273.218878	161.3
[M-H]-	249.222384	162.1
[M+NH4]+	268.263483	174.7
[M+K]+	289.192818	159.7
[M+H-H2O]+	233.226920	158.2
[M+HCOO]-	295.227861	176.0
[M+CH3COO]-	309.243511	184.5
[M+Na-2H]-	271.204326	161.2
[M]+	250.22911142	147.7
[M]-	250.23020858	147.7

Literature stripe

literature stripe

Patent stripe

patents stripe