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]+ 254.10230 155.1
[M+Na]+ 276.08424 159.9
[M-H]- 252.08774 159.0
[M+NH4]+ 271.12884 169.1
[M+K]+ 292.05818 161.1
[M+H-H2O]+ 236.09228 148.2
[M+HCOO]- 298.09322 172.5
[M+CH3COO]- 312.10887 192.7
[M+Na-2H]- 274.06969 161.6
[M]+ 253.09447 156.2
[M]- 253.09557 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.