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

0
Patents

265.09503 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 266.10231 157.3
[M+Na]+ 288.08425 165.4
[M-H]- 264.08775 165.0
[M+NH4]+ 283.12885 176.6
[M+K]+ 304.05819 168.1
[M+H-H2O]+ 248.09229 152.5
[M+HCOO]- 310.09323 178.8
[M+CH3COO]- 324.10888 200.2
[M+Na-2H]- 286.06970 162.4
[M]+ 265.09448 164.0
[M]- 265.09558 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