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

8
Patents

237.10011 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 238.10739 152.7
[M+Na]+ 260.08933 157.3
[M-H]- 236.09283 160.1
[M+NH4]+ 255.13393 166.9
[M+K]+ 276.06327 158.5
[M+H-H2O]+ 220.09737 145.1
[M+HCOO]- 282.09831 172.7
[M+CH3COO]- 296.11396 190.4
[M+Na-2H]- 258.07478 159.0
[M]+ 237.09956 152.0
[M]- 237.10066 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