CID 26272

Stauffer r-11163

Structural Information

Molecular Formula
C10H11NO4
SMILES
CNC(=O)OC1=CC=CC2=C1OCCO2
InChI
InChI=1S/C10H11NO4/c1-11-10(12)15-8-4-2-3-7-9(8)14-6-5-13-7/h2-4H,5-6H2,1H3,(H,11,12)
InChIKey
XOVFOHFSGVFTPY-UHFFFAOYSA-N
Compound name
2,3-dihydro-1,4-benzodioxin-5-yl N-methylcarbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

209.0688 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 210.07608 142.1
[M+Na]+ 232.05802 148.7
[M-H]- 208.06152 147.7
[M+NH4]+ 227.10262 158.9
[M+K]+ 248.03196 150.0
[M+H-H2O]+ 192.06606 135.5
[M+HCOO]- 254.06700 162.6
[M+CH3COO]- 268.08265 185.8
[M+Na-2H]- 230.04347 151.3
[M]+ 209.06825 143.5
[M]- 209.06935 143.5
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