CID 165995445

2763780-10-3

Structural Information

Molecular Formula

C₁₃H₁₇ClN₂O₂

SMILES

CC(C(=O)C1=CC(=CC=C1)Cl)N(C(C)(C)C)N=O

InChI

InChI=1S/C13H17ClN2O2/c1-9(16(15-18)13(2,3)4)12(17)10-6-5-7-11(14)8-10/h5-9H,1-4H3

InChIKey

IPHMVIXBRCCXRJ-UHFFFAOYSA-N

Compound name

N-tert-butyl-N-[1-(3-chlorophenyl)-1-oxopropan-2-yl]nitrous amide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 268.09787 Da
Monoisotopic Mass: 3.6
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]+	269.105146	160.0
[M+Na]+	291.087088	166.8
[M-H]-	267.090594	166.5
[M+NH4]+	286.131693	178.2
[M+K]+	307.061028	165.4
[M+H-H2O]+	251.095130	154.1
[M+HCOO]-	313.096071	180.2
[M+CH3COO]-	327.111721	207.8
[M+Na-2H]-	289.072536	163.7
[M]+	268.09732142	165.3
[M]-	268.09841858	165.3

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.