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: 2
Patents: 307.14197 Da
Monoisotopic Mass: 3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	308.149246	169.8
[M+Na]+	330.131188	177.1
[M-H]-	306.134694	177.3
[M+NH4]+	325.175793	187.6
[M+K]+	346.105128	179.8
[M+H-H2O]+	290.139230	165.4
[M+HCOO]-	352.140171	188.7
[M+CH3COO]-	366.155821	208.9
[M+Na-2H]-	328.116636	174.7
[M]+	307.14142142	177.0
[M]-	307.14251858	177.0

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe