CID 9628424

2-(allyloxy)benzaldehyde semicarbazone

Structural Information

Molecular Formula

C₁₁H₁₃N₃O₂

SMILES

C=CCOC1=CC=CC=C1/C=N/NC(=O)N

InChI

InChI=1S/C11H13N3O2/c1-2-7-16-10-6-4-3-5-9(10)8-13-14-11(12)15/h2-6,8H,1,7H2,(H3,12,14,15)/b13-8+

InChIKey

UWHZMMSFBJLDJT-MDWZMJQESA-N

Compound name

[(E)-(2-prop-2-enoxyphenyl)methylideneamino]urea

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 219.10077 Da
Monoisotopic Mass: 1.2
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]+	220.108046	147.7
[M+Na]+	242.089988	153.7
[M-H]-	218.093494	152.1
[M+NH4]+	237.134593	165.5
[M+K]+	258.063928	151.5
[M+H-H2O]+	202.098030	140.2
[M+HCOO]-	264.098971	175.6
[M+CH3COO]-	278.114621	196.4
[M+Na-2H]-	240.075436	153.2
[M]+	219.10022142	147.2
[M]-	219.10131858	147.2

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.