CID 122213804

Eflea

Structural Information

Molecular Formula

C₁₂H₁₇NO₃

SMILES

CC(CC1=CC2=C(C=C1)OCCO2)N(C)O

InChI

InChI=1S/C12H17NO3/c1-9(13(2)14)7-10-3-4-11-12(8-10)16-6-5-15-11/h3-4,8-9,14H,5-7H2,1-2H3

InChIKey

FFWSMXIWPUUWNK-UHFFFAOYSA-N

Compound name

N-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)propan-2-yl]-N-methylhydroxylamine

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 0
References: 8
Patents: 223.12085 Da
Monoisotopic Mass: 2.0
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]+	224.12813	150.5
[M+Na]+	246.11007	155.6
[M-H]-	222.11357	155.7
[M+NH4]+	241.15467	166.7
[M+K]+	262.08401	157.0
[M+H-H2O]+	206.11811	143.8
[M+HCOO]-	268.11905	168.8
[M+CH3COO]-	282.13470	192.7
[M+Na-2H]-	244.09552	157.2
[M]+	223.12030	151.4
[M]-	223.12140	151.4

Literature stripe

literature stripe

Patent stripe

patents stripe