CID 218202

40374-15-0

Structural Information

Molecular Formula
C16H21NO5
SMILES
CC(=O)N(C)C(=O)OC1=CC=CC2=C1OC(O2)(C)C(C)(C)C
InChI
InChI=1S/C16H21NO5/c1-10(18)17(6)14(19)20-11-8-7-9-12-13(11)22-16(5,21-12)15(2,3)4/h7-9H,1-6H3
InChIKey
WQHPLOJGHXJQEE-UHFFFAOYSA-N
Compound name
(2-tert-butyl-2-methyl-1,3-benzodioxol-4-yl) N-acetyl-N-methylcarbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

307.14197 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 308.14925 168.6
[M+Na]+ 330.13119 177.4
[M+NH4]+ 325.17579 175.7
[M+K]+ 346.10513 175.4
[M-H]- 306.13469 171.0
[M+Na-2H]- 328.11664 171.5
[M]+ 307.14142 170.5
[M]- 307.14252 170.5
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

No patent data available for this compound.