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

3
Annotation Hits: 19
References: 433
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]+	196.096816	141.0
[M+Na]+	218.078758	147.7
[M-H]-	194.082264	145.4
[M+NH4]+	213.123363	159.6
[M+K]+	234.052698	148.0
[M+H-H2O]+	178.086800	135.7
[M+HCOO]-	240.087741	161.7
[M+CH3COO]-	254.103391	182.7
[M+Na-2H]-	216.064206	148.2
[M]+	195.08899142	142.1
[M]-	195.09008858	142.1

Literature stripe

literature stripe

Patent stripe

patents stripe