CID 59428239

907606-68-2

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
2
Annotation Hits

0
References

90
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

literature stripe

Patent stripe

patents stripe