CID 54592952

N-[1-(n'-hydroxycarbamimidoyl)-1-methylethyl]acetamide

Structural Information

Molecular Formula

C₆H₁₃N₃O₂

SMILES

CC(=O)NC(C)(C)/C(=N/O)/N

InChI

InChI=1S/C6H13N3O2/c1-4(10)8-6(2,3)5(7)9-11/h11H,1-3H3,(H2,7,9)(H,8,10)

InChIKey

QFKDBLSOINTUPV-UHFFFAOYSA-N

Compound name

N-[(1Z)-1-amino-1-hydroxyimino-2-methylpropan-2-yl]acetamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1
Patents: 159.10077 Da
Monoisotopic Mass: -0.7
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]+	160.108046	134.8
[M+Na]+	182.089988	140.1
[M-H]-	158.093494	134.9
[M+NH4]+	177.134593	154.4
[M+K]+	198.063928	140.6
[M+H-H2O]+	142.098030	129.5
[M+HCOO]-	204.098971	158.3
[M+CH3COO]-	218.114621	184.2
[M+Na-2H]-	180.075436	139.6
[M]+	159.10022142	132.0
[M]-	159.10131858	132.0

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe