CID 98528

N-hydroxy mda

Structural Information

Molecular Formula

C₁₀H₁₃NO₃

SMILES

CC(CC1=CC2=C(C=C1)OCO2)NO

InChI

InChI=1S/C10H13NO3/c1-7(11-12)4-8-2-3-9-10(5-8)14-6-13-9/h2-3,5,7,11-12H,4,6H2,1H3

InChIKey

FNDCTJYFKOQGTL-UHFFFAOYSA-N

Compound name

N-[1-(1,3-benzodioxol-5-yl)propan-2-yl]hydroxylamine

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 19
References: 457
Patents: 195.08954 Da
Monoisotopic Mass: 1.7
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]+	196.09682	141.1
[M+Na]+	218.07876	151.4
[M+NH4]+	213.12336	149.2
[M+K]+	234.05270	149.0
[M-H]-	194.08226	145.2
[M+Na-2H]-	216.06421	144.4
[M]+	195.08899	143.5
[M]-	195.09009	143.5

Literature stripe

literature stripe

Patent stripe

patents stripe