CID 218199

1,3-benzodioxol-4-yl n-acetyl-n-methylcarbamate

Structural Information

Molecular Formula
C11H11NO5
SMILES
CC(=O)N(C)C(=O)OC1=CC=CC2=C1OCO2
InChI
InChI=1S/C11H11NO5/c1-7(13)12(2)11(14)17-9-5-3-4-8-10(9)16-6-15-8/h3-5H,6H2,1-2H3
InChIKey
UOABOWHUGUKRNP-UHFFFAOYSA-N
Compound name
1,3-benzodioxol-4-yl N-acetyl-N-methylcarbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

237.06372 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 238.070996 149.8
[M+Na]+ 260.052938 156.9
[M-H]- 236.056444 157.2
[M+NH4]+ 255.097543 167.8
[M+K]+ 276.026878 159.7
[M+H-H2O]+ 220.060980 144.0
[M+HCOO]- 282.061921 172.0
[M+CH3COO]- 296.077571 193.4
[M+Na-2H]- 258.038386 155.1
[M]+ 237.06317142 154.9
[M]- 237.06426858 154.9
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