CID 56147

Gb-501

Structural Information

Molecular Formula

C₁₀H₁₃ClN₂O

SMILES

CN(C)C(=O)CNC1=CC=C(C=C1)Cl

InChI

InChI=1S/C10H13ClN2O/c1-13(2)10(14)7-12-9-5-3-8(11)4-6-9/h3-6,12H,7H2,1-2H3

InChIKey

XJLDMBVNGVMUKQ-UHFFFAOYSA-N

Compound name

2-(4-chloroanilino)-N,N-dimethylacetamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1
Patents: 212.07164 Da
Monoisotopic Mass: 2.1
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]+	213.07892	146.0
[M+Na]+	235.06086	153.2
[M-H]-	211.06436	151.0
[M+NH4]+	230.10546	165.8
[M+K]+	251.03480	150.7
[M+H-H2O]+	195.06890	140.3
[M+HCOO]-	257.06984	167.7
[M+CH3COO]-	271.08549	193.8
[M+Na-2H]-	233.04631	151.0
[M]+	212.07109	148.5
[M]-	212.07219	148.5

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe