CID 16740551

Mfcd08692505

Structural Information

Molecular Formula

C₁₃H₁₈N₂O₃

SMILES

CC(C)(C)OC(=O)NC/C(=N\O)/C1=CC=CC=C1

InChI

InChI=1S/C13H18N2O3/c1-13(2,3)18-12(16)14-9-11(15-17)10-7-5-4-6-8-10/h4-8,17H,9H2,1-3H3,(H,14,16)/b15-11+

InChIKey

OYCHXXYYNVNOEE-RVDMUPIBSA-N

Compound name

tert-butyl N-[(2Z)-2-hydroxyimino-2-phenylethyl]carbamate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 250.13174 Da
Monoisotopic Mass: 2.6
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]+	251.139016	158.3
[M+Na]+	273.120958	162.9
[M-H]-	249.124464	161.6
[M+NH4]+	268.165563	174.8
[M+K]+	289.094898	161.9
[M+H-H2O]+	233.129000	151.5
[M+HCOO]-	295.129941	181.2
[M+CH3COO]-	309.145591	197.0
[M+Na-2H]-	271.106406	163.3
[M]+	250.13119142	159.0
[M]-	250.13228858	159.0

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.