CID 3016604

2-sec-butyl-n-ethyl-4-methylvaleramide

Structural Information

Molecular Formula

C₁₂H₂₅NO

SMILES

CCC(C)C(CC(C)C)C(=O)NCC

InChI

InChI=1S/C12H25NO/c1-6-10(5)11(8-9(3)4)12(14)13-7-2/h9-11H,6-8H2,1-5H3,(H,13,14)

InChIKey

QVCDGEQFSCTPBS-UHFFFAOYSA-N

Compound name

N-ethyl-3-methyl-2-(2-methylpropyl)pentanamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 5
Patents: 199.19362 Da
Monoisotopic Mass: 3.4
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]+	200.200896	154.1
[M+Na]+	222.182838	157.5
[M-H]-	198.186344	153.7
[M+NH4]+	217.227443	173.1
[M+K]+	238.156778	157.4
[M+H-H2O]+	182.190880	148.5
[M+HCOO]-	244.191821	173.4
[M+CH3COO]-	258.207471	194.0
[M+Na-2H]-	220.168286	153.0
[M]+	199.19307142	154.9
[M]-	199.19416858	154.9

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe