CID 16740544

778617-61-1

Structural Information

Molecular Formula

C₁₄H₁₉NO₄

SMILES

CC(C)(C)OC(=O)NCC(=O)C1=CC=C(C=C1)OC

InChI

InChI=1S/C14H19NO4/c1-14(2,3)19-13(17)15-9-12(16)10-5-7-11(18-4)8-6-10/h5-8H,9H2,1-4H3,(H,15,17)

InChIKey

MDFLXFYNPWKUEE-UHFFFAOYSA-N

Compound name

tert-butyl N-[2-(4-methoxyphenyl)-2-oxoethyl]carbamate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1
Patents: 265.1314 Da
Monoisotopic Mass: 2.3
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]+	266.138676	160.9
[M+Na]+	288.120618	166.7
[M-H]-	264.124124	164.5
[M+NH4]+	283.165223	177.3
[M+K]+	304.094558	166.1
[M+H-H2O]+	248.128660	154.5
[M+HCOO]-	310.129601	182.7
[M+CH3COO]-	324.145251	198.9
[M+Na-2H]-	286.106066	164.6
[M]+	265.13085142	164.7
[M]-	265.13194858	164.7

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe