CID 9816868

Erythro-n-boc-l-cyclohexylalanine epoxide

Structural Information

Molecular Formula
C15H27NO3
SMILES
CC(C)(C)OC(=O)N[C@@H](CC1CCCCC1)[C@H]2CO2
InChI
InChI=1S/C15H27NO3/c1-15(2,3)19-14(17)16-12(13-10-18-13)9-11-7-5-4-6-8-11/h11-13H,4-10H2,1-3H3,(H,16,17)/t12-,13+/m0/s1
InChIKey
JRMDRWOEBLIOTE-QWHCGFSZSA-N
Compound name
tert-butyl N-[(1S)-2-cyclohexyl-1-[(2S)-oxiran-2-yl]ethyl]carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

43
Patents

269.1991 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 270.206376 163.2
[M+Na]+ 292.188318 166.6
[M-H]- 268.191824 169.8
[M+NH4]+ 287.232923 173.1
[M+K]+ 308.162258 166.2
[M+H-H2O]+ 252.196360 156.2
[M+HCOO]- 314.197301 179.4
[M+CH3COO]- 328.212951 201.8
[M+Na-2H]- 290.173766 165.9
[M]+ 269.19855142 164.0
[M]- 269.19964858 164.0
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