CID 3037937

3655-28-5

Structural Information

Molecular Formula
C11H13NO5
SMILES
C1C(OC2=CC=CC=C2O1)CC(O)OC(=O)N
InChI
InChI=1S/C11H13NO5/c12-11(14)17-10(13)5-7-6-15-8-3-1-2-4-9(8)16-7/h1-4,7,10,13H,5-6H2,(H2,12,14)
InChIKey
MVALIGSLMJUNEO-UHFFFAOYSA-N
Compound name
[2-(2,3-dihydro-1,4-benzodioxin-3-yl)-1-hydroxyethyl] carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

239.07938 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 240.086656 150.8
[M+Na]+ 262.068598 155.9
[M-H]- 238.072104 154.3
[M+NH4]+ 257.113203 165.0
[M+K]+ 278.042538 157.0
[M+H-H2O]+ 222.076640 144.0
[M+HCOO]- 284.077581 167.9
[M+CH3COO]- 298.093231 189.8
[M+Na-2H]- 260.054046 156.7
[M]+ 239.07883142 150.6
[M]- 239.07992858 150.6
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.