CID 218201

40374-14-9

Structural Information

Molecular Formula
C15H19NO5
SMILES
CCC1(OC2=C(O1)C(=CC=C2)OC(=O)N(C)C(=O)C)CC
InChI
InChI=1S/C15H19NO5/c1-5-15(6-2)20-12-9-7-8-11(13(12)21-15)19-14(18)16(4)10(3)17/h7-9H,5-6H2,1-4H3
InChIKey
NQQWCDMYWSQASG-UHFFFAOYSA-N
Compound name
(2,2-diethyl-1,3-benzodioxol-4-yl) N-acetyl-N-methylcarbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

293.1263 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 294.13358 167.0
[M+Na]+ 316.11552 174.3
[M-H]- 292.11902 174.3
[M+NH4]+ 311.16012 185.2
[M+K]+ 332.08946 176.5
[M+H-H2O]+ 276.12356 161.8
[M+HCOO]- 338.12450 187.8
[M+CH3COO]- 352.14015 206.1
[M+Na-2H]- 314.10097 171.0
[M]+ 293.12575 174.4
[M]- 293.12685 174.4
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