CID 113430

6-tridecanone, 3,9-diethyl-

Structural Information

Molecular Formula

C₁₇H₃₄O

SMILES

CCCCC(CC)CCC(=O)CCC(CC)CC

InChI

InChI=1S/C17H34O/c1-5-9-10-16(8-4)12-14-17(18)13-11-15(6-2)7-3/h15-16H,5-14H2,1-4H3

InChIKey

LJIUTOLEBSNPSS-UHFFFAOYSA-N

Compound name

3,9-diethyltridecan-6-one

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 0
References: 1
Patents: 254.26097 Da
Monoisotopic Mass: 6.4
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]+	255.268246	172.1
[M+Na]+	277.250188	174.5
[M-H]-	253.253694	170.7
[M+NH4]+	272.294793	189.3
[M+K]+	293.224128	172.6
[M+H-H2O]+	237.258230	166.0
[M+HCOO]-	299.259171	189.8
[M+CH3COO]-	313.274821	204.0
[M+Na-2H]-	275.235636	169.5
[M]+	254.26042142	176.4
[M]-	254.26151858	176.4

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe