CID 57690442

913575-10-7

Structural Information

Molecular Formula
C12H21NO3
SMILES
CC(C)(C)OC(=O)N1C[C@@H]2CC[C@@H]([C@@H]2C1)O
InChI
InChI=1S/C12H21NO3/c1-12(2,3)16-11(15)13-6-8-4-5-10(14)9(8)7-13/h8-10,14H,4-7H2,1-3H3/t8-,9+,10-/m0/s1
InChIKey
LVSMJGHUOLKTJI-AEJSXWLSSA-N
Compound name
tert-butyl (3aS,4S,6aR)-4-hydroxy-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

3
Patents

227.15215 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 228.15943 153.0
[M+Na]+ 250.14137 159.4
[M+NH4]+ 245.18597 159.7
[M+K]+ 266.11531 159.9
[M-H]- 226.14487 151.2
[M+Na-2H]- 248.12682 152.7
[M]+ 227.15160 152.9
[M]- 227.15270 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

patents stripe