CID 3041943

58888-91-8

Structural Information

Molecular Formula

C₁₂H₂₅NO

SMILES

CCCC(CCC)C(CCC)C(=O)N

InChI

InChI=1S/C12H25NO/c1-4-7-10(8-5-2)11(9-6-3)12(13)14/h10-11H,4-9H2,1-3H3,(H2,13,14)

InChIKey

STLPPPYZHTZUCZ-UHFFFAOYSA-N

Compound name

2,3-dipropylhexanamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 199.19362 Da
Monoisotopic Mass: 4.0
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]+	200.20090	154.3
[M+Na]+	222.18284	157.8
[M-H]-	198.18634	153.2
[M+NH4]+	217.22744	173.0
[M+K]+	238.15678	156.9
[M+H-H2O]+	182.19088	148.6
[M+HCOO]-	244.19182	174.0
[M+CH3COO]-	258.20747	193.1
[M+Na-2H]-	220.16829	153.4
[M]+	199.19307	154.8
[M]-	199.19417	154.8

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.