CID 58147576

863600-81-1

Structural Information

Molecular Formula
C12H22N2O2
SMILES
CC(C)(C)OC(=O)N1C[C@H]2CC(C[C@H]2C1)N
InChI
InChI=1S/C12H22N2O2/c1-12(2,3)16-11(15)14-6-8-4-10(13)5-9(8)7-14/h8-10H,4-7,13H2,1-3H3/t8-,9+,10?
InChIKey
DPYIUHWPQGIBSS-ULKQDVFKSA-N
Compound name
tert-butyl (3aR,6aS)-5-amino-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-2-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

172
Patents

226.16812 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 227.175396 156.6
[M+Na]+ 249.157338 162.2
[M-H]- 225.160844 158.9
[M+NH4]+ 244.201943 177.8
[M+K]+ 265.131278 160.9
[M+H-H2O]+ 209.165380 151.4
[M+HCOO]- 271.166321 174.2
[M+CH3COO]- 285.181971 190.8
[M+Na-2H]- 247.142786 156.4
[M]+ 226.16757142 153.9
[M]- 226.16866858 153.9
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

patents stripe