CID 9813904

(2r,3s)-3-(tert-butoxycarbonyl)amino-1,2-epoxy-4-phenylbutane

Structural Information

Molecular Formula
C15H21NO3
SMILES
CC(C)(C)OC(=O)N[C@@H](CC1=CC=CC=C1)[C@@H]2CO2
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)/t12-,13-/m0/s1
InChIKey
NVPOUMXZERMIJK-STQMWFEESA-N
Compound name
tert-butyl N-[(1S)-1-[(2R)-oxiran-2-yl]-2-phenylethyl]carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

700
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 159.5
[M+Na]+ 286.14135 165.8
[M-H]- 262.14485 167.3
[M+NH4]+ 281.18595 169.9
[M+K]+ 302.11529 164.8
[M+H-H2O]+ 246.14939 152.3
[M+HCOO]- 308.15033 180.1
[M+CH3COO]- 322.16598 200.6
[M+Na-2H]- 284.12680 164.9
[M]+ 263.15158 164.3
[M]- 263.15268 164.3
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