CID 59685082

Tert-butyl n-(2-methyl-1-phenylpropan-2-yl)carbamate

Structural Information

Molecular Formula
C15H23NO2
SMILES
CC(C)(C)OC(=O)NC(C)(C)CC1=CC=CC=C1
InChI
InChI=1S/C15H23NO2/c1-14(2,3)18-13(17)16-15(4,5)11-12-9-7-6-8-10-12/h6-10H,11H2,1-5H3,(H,16,17)
InChIKey
DVFAZVFWSKZADL-UHFFFAOYSA-N
Compound name
tert-butyl N-(2-methyl-1-phenylpropan-2-yl)carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

249.17288 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 250.18016 160.8
[M+Na]+ 272.16210 165.9
[M-H]- 248.16560 164.1
[M+NH4]+ 267.20670 178.0
[M+K]+ 288.13604 164.4
[M+H-H2O]+ 232.17014 154.9
[M+HCOO]- 294.17108 181.0
[M+CH3COO]- 308.18673 197.1
[M+Na-2H]- 270.14755 166.5
[M]+ 249.17233 162.5
[M]- 249.17343 162.5
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