CID 124556055

1251021-47-2

Structural Information

Molecular Formula
C12H22N2O2
SMILES
CC(C)(C)OC(=O)N1CC[C@]2([C@@H]1CCC2)N
InChI
InChI=1S/C12H22N2O2/c1-11(2,3)16-10(15)14-8-7-12(13)6-4-5-9(12)14/h9H,4-8,13H2,1-3H3/t9-,12+/m0/s1
InChIKey
TUBKTTUXJKGATN-JOYOIKCWSA-N
Compound name
tert-butyl (3aR,6aS)-3a-amino-2,3,4,5,6,6a-hexahydrocyclopenta[b]pyrrole-1-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

226.16812 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 227.17540 155.8
[M+Na]+ 249.15734 161.5
[M-H]- 225.16084 158.1
[M+NH4]+ 244.20194 178.8
[M+K]+ 265.13128 160.3
[M+H-H2O]+ 209.16538 151.2
[M+HCOO]- 271.16632 173.5
[M+CH3COO]- 285.18197 189.1
[M+Na-2H]- 247.14279 157.6
[M]+ 226.16757 153.1
[M]- 226.16867 153.1
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.