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

0
Patents

237.06372 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 238.07100 149.8
[M+Na]+ 260.05294 156.9
[M-H]- 236.05644 157.2
[M+NH4]+ 255.09754 167.8
[M+K]+ 276.02688 159.7
[M+H-H2O]+ 220.06098 144.0
[M+HCOO]- 282.06192 172.0
[M+CH3COO]- 296.07757 193.4
[M+Na-2H]- 258.03839 155.1
[M]+ 237.06317 154.9
[M]- 237.06427 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