CID 211259

22791-34-0

Structural Information

Molecular Formula

C₁₅H₁₅NO₅

SMILES

CC(=O)N(CC#C)C(=O)OC1=CC=CC2=C1OC(O2)(C)C

InChI

InChI=1S/C15H15NO5/c1-5-9-16(10(2)17)14(18)19-11-7-6-8-12-13(11)21-15(3,4)20-12/h1,6-8H,9H2,2-4H3

InChIKey

MEJKGKQUWQFGMV-UHFFFAOYSA-N

Compound name

(2,2-dimethyl-1,3-benzodioxol-4-yl) N-acetyl-N-prop-2-ynylcarbamate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 2
Patents: 289.09503 Da
Monoisotopic Mass: 1.8
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]+	290.102306	165.0
[M+Na]+	312.084248	175.5
[M-H]-	288.087754	169.9
[M+NH4]+	307.128853	181.0
[M+K]+	328.058188	173.6
[M+H-H2O]+	272.092290	153.3
[M+HCOO]-	334.093231	180.2
[M+CH3COO]-	348.108881	210.1
[M+Na-2H]-	310.069696	167.9
[M]+	289.09448142	165.4
[M]-	289.09557858	165.4

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe