CID 44939

63884-51-5

Structural Information

Molecular Formula

C₁₂H₁₆N₂O₄

SMILES

CN(C)C(=O)OC1=CC=C(C=C1)OC(=O)N(C)C

InChI

InChI=1S/C12H16N2O4/c1-13(2)11(15)17-9-5-7-10(8-6-9)18-12(16)14(3)4/h5-8H,1-4H3

InChIKey

ULXRHTUWSOLFAL-UHFFFAOYSA-N

Compound name

[4-(dimethylcarbamoyloxy)phenyl] N,N-dimethylcarbamate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 11
References: 3
Patents: 252.11101 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]+	253.118286	156.1
[M+Na]+	275.100228	161.9
[M-H]-	251.103734	162.7
[M+NH4]+	270.144833	173.9
[M+K]+	291.074168	164.1
[M+H-H2O]+	235.108270	148.6
[M+HCOO]-	297.109211	182.1
[M+CH3COO]-	311.124861	203.9
[M+Na-2H]-	273.085676	158.8
[M]+	252.11046142	161.3
[M]-	252.11155858	161.3

Literature stripe

literature stripe

Patent stripe

patents stripe