CID 202402

Brn 2985939

Structural Information

Molecular Formula

C₁₂H₁₈N₂O₃

SMILES

CC1=CC(=CC(=C1N(C)C)C)OC(=O)NCO

InChI

InChI=1S/C12H18N2O3/c1-8-5-10(17-12(16)13-7-15)6-9(2)11(8)14(3)4/h5-6,15H,7H2,1-4H3,(H,13,16)

InChIKey

NWENDJCAYLLIGH-UHFFFAOYSA-N

Compound name

[4-(dimethylamino)-3,5-dimethylphenyl] N-(hydroxymethyl)carbamate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 238.13174 Da
Monoisotopic Mass: 1.8
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]+	239.139016	154.2
[M+Na]+	261.120958	161.1
[M-H]-	237.124464	158.5
[M+NH4]+	256.165563	171.9
[M+K]+	277.094898	160.6
[M+H-H2O]+	221.129000	147.6
[M+HCOO]-	283.129941	178.7
[M+CH3COO]-	297.145591	199.6
[M+Na-2H]-	259.106406	156.8
[M]+	238.13119142	157.0
[M]-	238.13228858	157.0

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.