CID 209794

Valeramide, n,n-diethyl-2-propyl-

Structural Information

Molecular Formula

C₁₂H₂₅NO

SMILES

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

InChI

InChI=1S/C12H25NO/c1-5-9-11(10-6-2)12(14)13(7-3)8-4/h11H,5-10H2,1-4H3

InChIKey

KYZCGAYOKKRLFZ-UHFFFAOYSA-N

Compound name

N,N-diethyl-2-propylpentanamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 13
Patents: 199.19362 Da
Monoisotopic Mass: 3.3
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	151.7
[M+Na]+	222.18284	159.9
[M+NH4]+	217.22744	158.8
[M+K]+	238.15678	154.5
[M-H]-	198.18634	151.5
[M+Na-2H]-	220.16829	153.9
[M]+	199.19307	152.5
[M]-	199.19417	152.5

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe