CID 4571240

Tert-butyl n-[1-(oxiran-2-yl)-2-phenylethyl]carbamate

Structural Information

Molecular Formula
C15H21NO3
SMILES
CC(C)(C)OC(=O)NC(CC1=CC=CC=C1)C2CO2
InChI
InChI=1S/C15H21NO3/c1-15(2,3)19-14(17)16-12(13-10-18-13)9-11-7-5-4-6-8-11/h4-8,12-13H,9-10H2,1-3H3,(H,16,17)
InChIKey
NVPOUMXZERMIJK-UHFFFAOYSA-N
Compound name
tert-butyl N-[1-(oxiran-2-yl)-2-phenylethyl]carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

781
Patents

263.15213 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 264.15941 164.1
[M+Na]+ 286.14135 175.5
[M+NH4]+ 281.18595 171.5
[M+K]+ 302.11529 172.3
[M-H]- 262.14485 174.4
[M+Na-2H]- 284.12680 171.9
[M]+ 263.15158 169.7
[M]- 263.15268 169.7
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