CID 125451925

Rac-tert-butyl n-[(3ar,6s,6as)-octahydrocyclopenta[b]pyrrol-6-yl]carbamate

Structural Information

Molecular Formula
C12H22N2O2
SMILES
CC(C)(C)OC(=O)N[C@@H]1CC[C@@H]2[C@H]1NCC2
InChI
InChI=1S/C12H22N2O2/c1-12(2,3)16-11(15)14-9-5-4-8-6-7-13-10(8)9/h8-10,13H,4-7H2,1-3H3,(H,14,15)/t8-,9+,10+/m0/s1
InChIKey
GEDZHUPGNTZCPE-IVZWLZJFSA-N
Compound name
tert-butyl N-[(3aS,6R,6aR)-1,2,3,3a,4,5,6,6a-octahydrocyclopenta[b]pyrrol-6-yl]carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

226.16812 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 227.17540 156.8
[M+Na]+ 249.15734 161.0
[M-H]- 225.16084 157.9
[M+NH4]+ 244.20194 177.2
[M+K]+ 265.13128 159.3
[M+H-H2O]+ 209.16538 151.4
[M+HCOO]- 271.16632 173.6
[M+CH3COO]- 285.18197 187.7
[M+Na-2H]- 247.14279 157.8
[M]+ 226.16757 152.9
[M]- 226.16867 152.9
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.