CID 2815841

Maybridge3_002918

Structural Information

Molecular Formula

C₁₂H₁₆N₂O₃

SMILES

CC(=NO)C(C)(C)NC1=CC2=C(C=C1)OCO2

InChI

InChI=1S/C12H16N2O3/c1-8(14-15)12(2,3)13-9-4-5-10-11(6-9)17-7-16-10/h4-6,13,15H,7H2,1-3H3

InChIKey

GVERIMLSGZAIMW-UHFFFAOYSA-N

Compound name

N-[3-(1,3-benzodioxol-5-ylamino)-3-methylbutan-2-ylidene]hydroxylamine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 2
References: 0
Patents: 236.11609 Da
Monoisotopic Mass: 2.9
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]+	237.123366	153.1
[M+Na]+	259.105308	159.1
[M-H]-	235.108814	158.7
[M+NH4]+	254.149913	170.4
[M+K]+	275.079248	159.7
[M+H-H2O]+	219.113350	147.4
[M+HCOO]-	281.114291	174.2
[M+CH3COO]-	295.129941	195.3
[M+Na-2H]-	257.090756	161.0
[M]+	236.11554142	154.7
[M]-	236.11663858	154.7

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.