CID 203129

13973-72-3

Structural Information

Molecular Formula
C12H15NO5
SMILES
CNC(=O)OCC(C1COC2=CC=CC=C2O1)O
InChI
InChI=1S/C12H15NO5/c1-13-12(15)17-6-8(14)11-7-16-9-4-2-3-5-10(9)18-11/h2-5,8,11,14H,6-7H2,1H3,(H,13,15)
InChIKey
FZSIVUZWRRJFSM-UHFFFAOYSA-N
Compound name
[2-(2,3-dihydro-1,4-benzodioxin-3-yl)-2-hydroxyethyl] N-methylcarbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

253.09502 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 254.102296 155.1
[M+Na]+ 276.084238 159.9
[M-H]- 252.087744 159.0
[M+NH4]+ 271.128843 169.1
[M+K]+ 292.058178 161.1
[M+H-H2O]+ 236.092280 148.2
[M+HCOO]- 298.093221 172.5
[M+CH3COO]- 312.108871 192.7
[M+Na-2H]- 274.069686 161.6
[M]+ 253.09447142 156.2
[M]- 253.09556858 156.2
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.