CID 69154507

Tert-butyl n-(2-oxo-3-phenylpropyl)carbamate

Structural Information

Molecular Formula
C14H19NO3
SMILES
CC(C)(C)OC(=O)NCC(=O)CC1=CC=CC=C1
InChI
InChI=1S/C14H19NO3/c1-14(2,3)18-13(17)15-10-12(16)9-11-7-5-4-6-8-11/h4-8H,9-10H2,1-3H3,(H,15,17)
InChIKey
SEAKODXEERHRIJ-UHFFFAOYSA-N
Compound name
tert-butyl N-(2-oxo-3-phenylpropyl)carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

16
Patents

249.13649 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 250.143766 158.8
[M+Na]+ 272.125708 163.8
[M-H]- 248.129214 162.0
[M+NH4]+ 267.170313 175.7
[M+K]+ 288.099648 162.5
[M+H-H2O]+ 232.133750 152.4
[M+HCOO]- 294.134691 180.4
[M+CH3COO]- 308.150341 195.6
[M+Na-2H]- 270.111156 163.0
[M]+ 249.13594142 160.8
[M]- 249.13703858 160.8
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe