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]+ 253.11829 156.1
[M+Na]+ 275.10023 161.9
[M-H]- 251.10373 162.7
[M+NH4]+ 270.14483 173.9
[M+K]+ 291.07417 164.1
[M+H-H2O]+ 235.10827 148.6
[M+HCOO]- 297.10921 182.1
[M+CH3COO]- 311.12486 203.9
[M+Na-2H]- 273.08568 158.8
[M]+ 252.11046 161.3
[M]- 252.11156 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.