CID 3521347

Acetone o-(benzyloxycarbonyl)oxime

Structural Information

Molecular Formula

C₁₁H₁₃NO₃

SMILES

CC(=NOC(=O)OCC1=CC=CC=C1)C

InChI

InChI=1S/C11H13NO3/c1-9(2)12-15-11(13)14-8-10-6-4-3-5-7-10/h3-7H,8H2,1-2H3

InChIKey

YAECLTQWHQOIQR-UHFFFAOYSA-N

Compound name

benzyl (propan-2-ylideneamino) carbonate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 290
Patents: 207.08954 Da
Monoisotopic Mass: 2.2
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]+	208.096816	145.1
[M+Na]+	230.078758	151.3
[M-H]-	206.082264	149.9
[M+NH4]+	225.123363	164.2
[M+K]+	246.052698	151.2
[M+H-H2O]+	190.086800	138.2
[M+HCOO]-	252.087741	170.7
[M+CH3COO]-	266.103391	188.8
[M+Na-2H]-	228.064206	150.5
[M]+	207.08899142	148.3
[M]-	207.09008858	148.3

Literature stripe

literature stripe

Patent stripe

patents stripe