CID 20753133

912563-45-2

Structural Information

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

300
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 156.4
[M+Na]+ 250.14137 162.4
[M-H]- 226.14487 157.9
[M+NH4]+ 245.18597 177.4
[M+K]+ 266.11531 161.1
[M+H-H2O]+ 210.14941 151.9
[M+HCOO]- 272.15035 172.3
[M+CH3COO]- 286.16600 186.1
[M+Na-2H]- 248.12682 156.3
[M]+ 227.15160 155.0
[M]- 227.15270 155.0
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