CID 211258

Nc-6897, acetyl derivative

Structural Information

Molecular Formula
C13H15NO5
SMILES
CC(=O)N(C)C(=O)OC1=CC=CC2=C1OC(O2)(C)C
InChI
InChI=1S/C13H15NO5/c1-8(15)14(4)12(16)17-9-6-5-7-10-11(9)19-13(2,3)18-10/h5-7H,1-4H3
InChIKey
UICJWYDZUNCXQM-UHFFFAOYSA-N
Compound name
(2,2-dimethyl-1,3-benzodioxol-4-yl) N-acetyl-N-methylcarbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

265.09503 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 266.102306 157.3
[M+Na]+ 288.084248 165.4
[M-H]- 264.087754 165.0
[M+NH4]+ 283.128853 176.6
[M+K]+ 304.058188 168.1
[M+H-H2O]+ 248.092290 152.5
[M+HCOO]- 310.093231 178.8
[M+CH3COO]- 324.108881 200.2
[M+Na-2H]- 286.069696 162.4
[M]+ 265.09448142 164.0
[M]- 265.09557858 164.0
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