CID 59428239

Ns00078620

Structural Information

Molecular Formula
C12H21NO2
SMILES
CC(C)(C)OC(=O)[C@@H]1[C@H]2CCC[C@H]2CN1
InChI
InChI=1S/C12H21NO2/c1-12(2,3)15-11(14)10-9-6-4-5-8(9)7-13-10/h8-10,13H,4-7H2,1-3H3/t8-,9-,10-/m0/s1
InChIKey
NEKNRPZRUGJBHN-GUBZILKMSA-N
Compound name
tert-butyl (3S,3aS,6aR)-1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrole-3-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

67
Patents

211.15723 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 212.164506 154.1
[M+Na]+ 234.146448 159.3
[M-H]- 210.149954 155.2
[M+NH4]+ 229.191053 175.5
[M+K]+ 250.120388 157.4
[M+H-H2O]+ 194.154490 149.2
[M+HCOO]- 256.155431 169.8
[M+CH3COO]- 270.171081 183.4
[M+Na-2H]- 232.131896 154.4
[M]+ 211.15668142 151.0
[M]- 211.15777858 151.0
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

No patent data available for this compound.