CID 13103190

88384-33-2

Structural Information

Molecular Formula

C₁₂H₁₇ClN₂O₂

SMILES

CN(C)CCC(C1=CC=C(C=C1)Cl)OC(=O)N

InChI

InChI=1S/C12H17ClN2O2/c1-15(2)8-7-11(17-12(14)16)9-3-5-10(13)6-4-9/h3-6,11H,7-8H2,1-2H3,(H2,14,16)

InChIKey

VIERYSABUCFIBM-UHFFFAOYSA-N

Compound name

[1-(4-chlorophenyl)-3-(dimethylamino)propyl] carbamate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 256.09787 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]+	257.105146	158.6
[M+Na]+	279.087088	164.7
[M-H]-	255.090594	162.9
[M+NH4]+	274.131693	176.3
[M+K]+	295.061028	162.4
[M+H-H2O]+	239.095130	152.5
[M+HCOO]-	301.096071	178.3
[M+CH3COO]-	315.111721	202.1
[M+Na-2H]-	277.072536	160.3
[M]+	256.09732142	161.8
[M]-	256.09841858	161.8

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.