CID 100703

73912-86-4

Structural Information

Molecular Formula

C₈H₁₆N₂O₃

SMILES

CCC(CC)C(=O)NCC(=O)NO

InChI

InChI=1S/C8H16N2O3/c1-3-6(4-2)8(12)9-5-7(11)10-13/h6,13H,3-5H2,1-2H3,(H,9,12)(H,10,11)

InChIKey

YAPCTKJFLMZMTA-UHFFFAOYSA-N

Compound name

2-ethyl-N-[2-(hydroxyamino)-2-oxoethyl]butanamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1
Patents: 188.11609 Da
Monoisotopic Mass: 0.2
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]+	189.12337	144.4
[M+Na]+	211.10531	148.5
[M-H]-	187.10881	143.0
[M+NH4]+	206.14991	162.5
[M+K]+	227.07925	148.5
[M+H-H2O]+	171.11335	138.5
[M+HCOO]-	233.11429	166.1
[M+CH3COO]-	247.12994	186.0
[M+Na-2H]-	209.09076	146.3
[M]+	188.11554	143.5
[M]-	188.11664	143.5

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe