CID 3021001

2-oxononanamide

Structural Information

Molecular Formula

C₉H₁₇NO₂

SMILES

CCCCCCCC(=O)C(=O)N

InChI

InChI=1S/C9H17NO2/c1-2-3-4-5-6-7-8(11)9(10)12/h2-7H2,1H3,(H2,10,12)

InChIKey

GGPGBWZFDWFGBZ-UHFFFAOYSA-N

Compound name

2-oxononanamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 32
Patents: 171.12593 Da
Monoisotopic Mass: 2.0
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]+	172.133206	141.3
[M+Na]+	194.115148	146.5
[M-H]-	170.118654	140.6
[M+NH4]+	189.159753	161.0
[M+K]+	210.089088	145.7
[M+H-H2O]+	154.123190	135.9
[M+HCOO]-	216.124131	163.4
[M+CH3COO]-	230.139781	184.2
[M+Na-2H]-	192.100596	143.4
[M]+	171.12538142	142.0
[M]-	171.12647858	142.0

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe