CID 2847363

4-benzoyloxy-tempo

Structural Information

Molecular Formula

C₁₆H₂₂NO₃

SMILES

CC1(CC(CC(N1[O])(C)C)OC(=O)C2=CC=CC=C2)C

InChI

InChI=1S/C16H22NO3/c1-15(2)10-13(11-16(3,4)17(15)19)20-14(18)12-8-6-5-7-9-12/h5-9,13H,10-11H2,1-4H3

InChIKey

MJEDTBDGYVATPI-UHFFFAOYSA-N

Compound name

None

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 11
Patents: 276.15997 Da
Monoisotopic Mass: 3.1
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]+	277.16725	162.7
[M+Na]+	299.14919	170.1
[M-H]-	275.15269	168.2
[M+NH4]+	294.19379	181.7
[M+K]+	315.12313	168.7
[M+H-H2O]+	259.15723	155.9
[M+HCOO]-	321.15817	180.7
[M+CH3COO]-	335.17382	199.8
[M+Na-2H]-	297.13464	166.2
[M]+	276.15942	163.7
[M]-	276.16052	163.7

Literature stripe

literature stripe

Patent stripe

patents stripe