CID 29875

19961-92-3

Structural Information

Molecular Formula
C12H16N2O4
SMILES
CN(C)C(=O)OC1=CC=CC(=C1)N(C)C(=O)OC
InChI
InChI=1S/C12H16N2O4/c1-13(2)11(15)18-10-7-5-6-9(8-10)14(3)12(16)17-4/h5-8H,1-4H3
InChIKey
NRUBYAXMLCSEJN-UHFFFAOYSA-N
Compound name
[3-[methoxycarbonyl(methyl)amino]phenyl] N,N-dimethylcarbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

252.11101 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[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
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.