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]+ 285.180876 169.0
[M+Na]+ 307.162818 173.1
[M-H]- 283.166324 170.1
[M+NH4]+ 302.207423 188.9
[M+K]+ 323.136758 172.1
[M+H-H2O]+ 267.170860 164.6
[M+HCOO]- 329.171801 184.7
[M+CH3COO]- 343.187451 196.9
[M+Na-2H]- 305.148266 169.9
[M]+ 284.17305142 167.6
[M]- 284.17414858 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