CID 12913434

Nonadecan-7-one

Structural Information

Molecular Formula

C₁₉H₃₈O

SMILES

CCCCCCCCCCCCC(=O)CCCCCC

InChI

InChI=1S/C19H38O/c1-3-5-7-9-10-11-12-13-14-16-18-19(20)17-15-8-6-4-2/h3-18H2,1-2H3

InChIKey

HSWDMYOKZXEFAZ-UHFFFAOYSA-N

Compound name

nonadecan-7-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 5
Patents: 282.29227 Da
Monoisotopic Mass: 8.1
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]+	283.299546	180.4
[M+Na]+	305.281488	182.3
[M-H]-	281.284994	178.3
[M+NH4]+	300.326093	196.5
[M+K]+	321.255428	179.0
[M+H-H2O]+	265.289530	173.6
[M+HCOO]-	327.290471	199.3
[M+CH3COO]-	341.306121	208.3
[M+Na-2H]-	303.266936	179.2
[M]+	282.29172142	186.8
[M]-	282.29281858	186.8

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe