CID 145874531

Rac-tert-butyl (2r,4as,7as)-2-(aminomethyl)-octahydrocyclopenta[b]morpholine-4-carboxylate hydrochloride

Structural Information

Molecular Formula
C13H24N2O3
SMILES
CC(C)(C)OC(=O)N1C[C@H](O[C@@H]2[C@@H]1CCC2)CN
InChI
InChI=1S/C13H24N2O3/c1-13(2,3)18-12(16)15-8-9(7-14)17-11-6-4-5-10(11)15/h9-11H,4-8,14H2,1-3H3/t9-,10+,11+/m1/s1
InChIKey
ZOHYAAKGTYPYTH-VWYCJHECSA-N
Compound name
tert-butyl (2R,4aS,7aS)-2-(aminomethyl)-3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazine-4-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

256.17868 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 257.18596 162.6
[M+Na]+ 279.16790 167.0
[M-H]- 255.17140 164.8
[M+NH4]+ 274.21250 179.4
[M+K]+ 295.14184 166.7
[M+H-H2O]+ 239.17594 156.7
[M+HCOO]- 301.17688 177.0
[M+CH3COO]- 315.19253 196.2
[M+Na-2H]- 277.15335 164.1
[M]+ 256.17813 160.1
[M]- 256.17923 160.1
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

No patent data available for this compound.