CID 10998692

146231-54-1

Structural Information

Molecular Formula
C12H19NO3
SMILES
CC(C)(C)OC(=O)N1C[C@H]2CC(=O)C[C@H]2C1
InChI
InChI=1S/C12H19NO3/c1-12(2,3)16-11(15)13-6-8-4-10(14)5-9(8)7-13/h8-9H,4-7H2,1-3H3/t8-,9+
InChIKey
GGNDIMLSSMWKDR-DTORHVGOSA-N
Compound name
tert-butyl (3aR,6aS)-5-oxo-1,3,3a,4,6,6a-hexahydrocyclopenta[c]pyrrole-2-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

366
Patents

225.13649 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 226.14377 154.5
[M+Na]+ 248.12571 161.3
[M-H]- 224.12921 157.5
[M+NH4]+ 243.17031 176.3
[M+K]+ 264.09965 160.3
[M+H-H2O]+ 208.13375 149.9
[M+HCOO]- 270.13469 172.2
[M+CH3COO]- 284.15034 187.7
[M+Na-2H]- 246.11116 155.0
[M]+ 225.13594 154.3
[M]- 225.13704 154.3
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