CID 11230079

Tert-butyl n-(2-oxo-2-phenylethyl)carbamate

Structural Information

Molecular Formula
C13H17NO3
SMILES
CC(C)(C)OC(=O)NCC(=O)C1=CC=CC=C1
InChI
InChI=1S/C13H17NO3/c1-13(2,3)17-12(16)14-9-11(15)10-7-5-4-6-8-10/h4-8H,9H2,1-3H3,(H,14,16)
InChIKey
ODIKTWMCZYPCKQ-UHFFFAOYSA-N
Compound name
tert-butyl N-phenacylcarbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

96
Patents

235.12085 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 236.12813 154.1
[M+Na]+ 258.11007 159.6
[M-H]- 234.11357 157.5
[M+NH4]+ 253.15467 171.6
[M+K]+ 274.08401 158.5
[M+H-H2O]+ 218.11811 147.9
[M+HCOO]- 280.11905 176.0
[M+CH3COO]- 294.13470 192.6
[M+Na-2H]- 256.09552 158.9
[M]+ 235.12030 155.7
[M]- 235.12140 155.7
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