CID 29811

Brn 2980180

Structural Information

Molecular Formula

C₁₁H₁₆N₂O₃

SMILES

CC1=C(C=CC(=C1)OC(=O)NCO)N(C)C

InChI

InChI=1S/C11H16N2O3/c1-8-6-9(16-11(15)12-7-14)4-5-10(8)13(2)3/h4-6,14H,7H2,1-3H3,(H,12,15)

InChIKey

YUXRBKSNBMBDMP-UHFFFAOYSA-N

Compound name

[4-(dimethylamino)-3-methylphenyl] N-(hydroxymethyl)carbamate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 224.11609 Da
Monoisotopic Mass: 1.3
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]+	225.123366	149.9
[M+Na]+	247.105308	156.3
[M-H]-	223.108814	153.9
[M+NH4]+	242.149913	167.9
[M+K]+	263.079248	156.0
[M+H-H2O]+	207.113350	143.2
[M+HCOO]-	269.114291	174.7
[M+CH3COO]-	283.129941	195.3
[M+Na-2H]-	245.090756	153.7
[M]+	224.11554142	152.0
[M]-	224.11663858	152.0

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.