CID 46913549

1210348-34-7

Structural Information

Molecular Formula
C14H27N3O3
SMILES
CC(C)(C)OC(=O)N[C@@H]1C[C@H](CC[C@@H]1N)C(=O)N(C)C
InChI
InChI=1S/C14H27N3O3/c1-14(2,3)20-13(19)16-11-8-9(6-7-10(11)15)12(18)17(4)5/h9-11H,6-8,15H2,1-5H3,(H,16,19)/t9-,10-,11+/m0/s1
InChIKey
JCHIBKSSZNWERE-GARJFASQSA-N
Compound name
tert-butyl N-[(1R,2S,5S)-2-amino-5-(dimethylcarbamoyl)cyclohexyl]carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

175
Patents

285.20523 Da
Monoisotopic Mass

0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 286.21251 169.0
[M+Na]+ 308.19445 173.5
[M+NH4]+ 303.23905 173.9
[M+K]+ 324.16839 171.6
[M-H]- 284.19795 169.3
[M+Na-2H]- 306.17990 169.7
[M]+ 285.20468 169.0
[M]- 285.20578 169.0
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