CID 201893

Brn 1318998

Structural Information

Molecular Formula
C12H15NO4
SMILES
CNC(=O)OC1=CC=CC=C1C2OCCCO2
InChI
InChI=1S/C12H15NO4/c1-13-12(14)17-10-6-3-2-5-9(10)11-15-7-4-8-16-11/h2-3,5-6,11H,4,7-8H2,1H3,(H,13,14)
InChIKey
RFZWBUUMFOZYDG-UHFFFAOYSA-N
Compound name
[2-(1,3-dioxan-2-yl)phenyl] N-methylcarbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

10
Patents

237.10011 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 238.107386 152.7
[M+Na]+ 260.089328 157.3
[M-H]- 236.092834 160.1
[M+NH4]+ 255.133933 166.9
[M+K]+ 276.063268 158.5
[M+H-H2O]+ 220.097370 145.1
[M+HCOO]- 282.098311 172.7
[M+CH3COO]- 296.113961 190.4
[M+Na-2H]- 258.074776 159.0
[M]+ 237.09956142 152.0
[M]- 237.10065858 152.0
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

patents stripe