CID 23421

Dioxacarb

Structural Information

Molecular Formula
C11H13NO4
SMILES
CNC(=O)OC1=CC=CC=C1C2OCCO2
InChI
InChI=1S/C11H13NO4/c1-12-11(13)16-9-5-3-2-4-8(9)10-14-6-7-15-10/h2-5,10H,6-7H2,1H3,(H,12,13)
InChIKey
SDKQRNRRDYRQKY-UHFFFAOYSA-N
Compound name
[2-(1,3-dioxolan-2-yl)phenyl] N-methylcarbamate
Related CIDs

2D Structure

compound 2d structure
6
Annotation Hits

10
References

7297
Patents

223.08446 Da
Monoisotopic Mass

0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 224.09174 147.8
[M+Na]+ 246.07368 153.7
[M-H]- 222.07718 155.7
[M+NH4]+ 241.11828 164.6
[M+K]+ 262.04762 154.9
[M+H-H2O]+ 206.08172 141.3
[M+HCOO]- 268.08266 170.3
[M+CH3COO]- 282.09831 186.8
[M+Na-2H]- 244.05913 153.3
[M]+ 223.08391 148.9
[M]- 223.08501 148.9
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe