CID 29876

19961-99-0

Structural Information

Molecular Formula
C12H16N2O5
SMILES
CNC(=O)OC1=CC=CC(=C1)NC(=O)OCCOC
InChI
InChI=1S/C12H16N2O5/c1-13-11(15)19-10-5-3-4-9(8-10)14-12(16)18-7-6-17-2/h3-5,8H,6-7H2,1-2H3,(H,13,15)(H,14,16)
InChIKey
SYLSRTLUCIDOHN-UHFFFAOYSA-N
Compound name
[3-(2-methoxyethoxycarbonylamino)phenyl] N-methylcarbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

268.10593 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 269.113206 158.8
[M+Na]+ 291.095148 163.9
[M-H]- 267.098654 162.2
[M+NH4]+ 286.139753 174.4
[M+K]+ 307.069088 163.9
[M+H-H2O]+ 251.103190 151.1
[M+HCOO]- 313.104131 183.9
[M+CH3COO]- 327.119781 199.3
[M+Na-2H]- 289.080596 162.9
[M]+ 268.10538142 162.7
[M]- 268.10647858 162.7
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.