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

35
Patents

269.1991 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 270.20638 163.2
[M+Na]+ 292.18832 166.6
[M-H]- 268.19182 169.8
[M+NH4]+ 287.23292 173.1
[M+K]+ 308.16226 166.2
[M+H-H2O]+ 252.19636 156.2
[M+HCOO]- 314.19730 179.4
[M+CH3COO]- 328.21295 201.8
[M+Na-2H]- 290.17377 165.9
[M]+ 269.19855 164.0
[M]- 269.19965 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