CID 211387

22961-83-7

Structural Information

Molecular Formula

C₁₄H₁₇NO₅

SMILES

CCC1(OC2=C(O1)C(=CC=C2)OC(=O)N(C)C(=O)C)C

InChI

InChI=1S/C14H17NO5/c1-5-14(3)19-11-8-6-7-10(12(11)20-14)18-13(17)15(4)9(2)16/h6-8H,5H2,1-4H3

InChIKey

YNGLPKKOWRUTDJ-UHFFFAOYSA-N

Compound name

(2-ethyl-2-methyl-1,3-benzodioxol-4-yl) N-acetyl-N-methylcarbamate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 3
Patents: 279.1107 Da
Monoisotopic Mass: 2.2
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]+	280.117976	162.2
[M+Na]+	302.099918	169.9
[M-H]-	278.103424	169.7
[M+NH4]+	297.144523	180.9
[M+K]+	318.073858	172.3
[M+H-H2O]+	262.107960	157.1
[M+HCOO]-	324.108901	183.3
[M+CH3COO]-	338.124551	203.2
[M+Na-2H]-	300.085366	166.7
[M]+	279.11015142	169.2
[M]-	279.11124858	169.2

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe