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]+ 240.08666 150.8
[M+Na]+ 262.06860 155.9
[M-H]- 238.07210 154.3
[M+NH4]+ 257.11320 165.0
[M+K]+ 278.04254 157.0
[M+H-H2O]+ 222.07664 144.0
[M+HCOO]- 284.07758 167.9
[M+CH3COO]- 298.09323 189.8
[M+Na-2H]- 260.05405 156.7
[M]+ 239.07883 150.6
[M]- 239.07993 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.