CID 566940

2-tetradecylcyclobutanone

Structural Information

Molecular Formula

C₁₈H₃₄O

SMILES

CCCCCCCCCCCCCCC1CCC1=O

InChI

InChI=1S/C18H34O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-17-15-16-18(17)19/h17H,2-16H2,1H3

InChIKey

HTZLOIBLMXPDGR-UHFFFAOYSA-N

Compound name

2-tetradecylcyclobutan-1-one

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 19
References: 2
Patents: 266.26096 Da
Monoisotopic Mass: 7.5
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]+	267.26824	170.5
[M+Na]+	289.25018	172.4
[M-H]-	265.25368	172.1
[M+NH4]+	284.29478	181.0
[M+K]+	305.22412	171.9
[M+H-H2O]+	249.25822	159.0
[M+HCOO]-	311.25916	189.1
[M+CH3COO]-	325.27481	206.3
[M+Na-2H]-	287.23563	170.3
[M]+	266.26041	183.0
[M]-	266.26151	183.0

Literature stripe

literature stripe

Patent stripe

patents stripe