CID 14267858

116437-41-3

Structural Information

Molecular Formula
C15H21NO3
SMILES
CC(C)(C)OC(=O)NCCCC(=O)C1=CC=CC=C1
InChI
InChI=1S/C15H21NO3/c1-15(2,3)19-14(18)16-11-7-10-13(17)12-8-5-4-6-9-12/h4-6,8-9H,7,10-11H2,1-3H3,(H,16,18)
InChIKey
BAEFUAYRWLKGRC-UHFFFAOYSA-N
Compound name
tert-butyl N-(4-oxo-4-phenylbutyl)carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

62
Patents

263.15213 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 264.159406 163.5
[M+Na]+ 286.141348 168.1
[M-H]- 262.144854 166.5
[M+NH4]+ 281.185953 179.8
[M+K]+ 302.115288 166.5
[M+H-H2O]+ 246.149390 156.8
[M+HCOO]- 308.150331 184.7
[M+CH3COO]- 322.165981 198.6
[M+Na-2H]- 284.126796 167.2
[M]+ 263.15158142 165.8
[M]- 263.15267858 165.8
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe