CID 2451342

561008-72-8

Structural Information

Molecular Formula

C₁₀H₁₃N₃O₂

SMILES

CC1=CC=CC=C1NC(=O)CC(=NO)N

InChI

InChI=1S/C10H13N3O2/c1-7-4-2-3-5-8(7)12-10(14)6-9(11)13-15/h2-5,15H,6H2,1H3,(H2,11,13)(H,12,14)

InChIKey

IVZFGVGESLEMIQ-UHFFFAOYSA-N

Compound name

3-amino-3-hydroxyimino-N-(2-methylphenyl)propanamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 3
Patents: 207.10077 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]+	208.10805	146.6
[M+Na]+	230.08999	155.0
[M+NH4]+	225.13459	152.9
[M+K]+	246.06393	150.8
[M-H]-	206.09349	148.5
[M+Na-2H]-	228.07544	151.4
[M]+	207.10022	147.8
[M]-	207.10132	147.8

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe