CID 412484

2-(dimethylamino)ethyl n-(4-chlorophenyl)carbamate

Structural Information

Molecular Formula

C₁₁H₁₅ClN₂O₂

SMILES

CN(C)CCOC(=O)NC1=CC=C(C=C1)Cl

InChI

InChI=1S/C11H15ClN2O2/c1-14(2)7-8-16-11(15)13-10-5-3-9(12)4-6-10/h3-6H,7-8H2,1-2H3,(H,13,15)

InChIKey

CYUUBMXAQCPXOG-UHFFFAOYSA-N

Compound name

2-(dimethylamino)ethyl N-(4-chlorophenyl)carbamate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1
Patents: 242.0822 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]+	243.089476	153.6
[M+Na]+	265.071418	160.4
[M-H]-	241.074924	158.5
[M+NH4]+	260.116023	172.2
[M+K]+	281.045358	158.2
[M+H-H2O]+	225.079460	147.5
[M+HCOO]-	287.080401	175.3
[M+CH3COO]-	301.096051	198.2
[M+Na-2H]-	263.056866	158.1
[M]+	242.08165142	157.9
[M]-	242.08274858	157.9

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe