CID 26186

13684-90-7

Structural Information

Molecular Formula
C12H16N2O4
SMILES
CC(C)OC(=O)NC1=CC(=CC=C1)OC(=O)NC
InChI
InChI=1S/C12H16N2O4/c1-8(2)17-12(16)14-9-5-4-6-10(7-9)18-11(15)13-3/h4-8H,1-3H3,(H,13,15)(H,14,16)
InChIKey
FBLVWMVUQZTUFU-UHFFFAOYSA-N
Compound name
[3-(propan-2-yloxycarbonylamino)phenyl] N-methylcarbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

252.11101 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 253.118286 157.0
[M+Na]+ 275.100228 162.0
[M-H]- 251.103734 160.6
[M+NH4]+ 270.144833 173.4
[M+K]+ 291.074168 162.0
[M+H-H2O]+ 235.108270 149.8
[M+HCOO]- 297.109211 180.9
[M+CH3COO]- 311.124861 198.0
[M+Na-2H]- 273.085676 159.8
[M]+ 252.11046142 158.9
[M]- 252.11155858 158.9
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.