CID 14267859

116437-42-4

Structural Information

Molecular Formula

C₁₆H₂₃NO₃

SMILES

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

InChI

InChI=1S/C16H23NO3/c1-16(2,3)20-15(19)17-12-8-7-11-14(18)13-9-5-4-6-10-13/h4-6,9-10H,7-8,11-12H2,1-3H3,(H,17,19)

InChIKey

DJDVCMJMJKSDTB-UHFFFAOYSA-N

Compound name

tert-butyl N-(5-oxo-5-phenylpentyl)carbamate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 15
Patents: 277.1678 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]+	278.175076	168.2
[M+Na]+	300.157018	172.3
[M-H]-	276.160524	170.9
[M+NH4]+	295.201623	183.8
[M+K]+	316.130958	170.5
[M+H-H2O]+	260.165060	161.3
[M+HCOO]-	322.166001	189.0
[M+CH3COO]-	336.181651	201.6
[M+Na-2H]-	298.142466	171.3
[M]+	277.16725142	170.8
[M]-	277.16834858	170.8

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe