CID 86708894

2137987-37-0

Structural Information

Molecular Formula
C14H24N2O4
SMILES
CC(C)(C)OC(=O)N[C@@H]1C[C@H]2CNC[C@]2(C1)C(=O)OC
InChI
InChI=1S/C14H24N2O4/c1-13(2,3)20-12(18)16-10-5-9-7-15-8-14(9,6-10)11(17)19-4/h9-10,15H,5-8H2,1-4H3,(H,16,18)/t9-,10+,14-/m0/s1
InChIKey
FXWYACZKPVXLKB-RBZYPMLTSA-N
Compound name
methyl (3aR,5R,6aR)-5-[(2-methylpropan-2-yl)oxycarbonylamino]-2,3,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-3a-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

6
Patents

284.1736 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 285.18088 169.0
[M+Na]+ 307.16282 173.1
[M-H]- 283.16632 170.1
[M+NH4]+ 302.20742 188.9
[M+K]+ 323.13676 172.1
[M+H-H2O]+ 267.17086 164.6
[M+HCOO]- 329.17180 184.7
[M+CH3COO]- 343.18745 196.9
[M+Na-2H]- 305.14827 169.9
[M]+ 284.17305 167.6
[M]- 284.17415 167.6
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