CID 58739343

1823254-83-6

Structural Information

Molecular Formula
C12H19NO3
SMILES
CC(C)(C)OC(=O)N1CCC2C1C(=O)CC2
InChI
InChI=1S/C12H19NO3/c1-12(2,3)16-11(15)13-7-6-8-4-5-9(14)10(8)13/h8,10H,4-7H2,1-3H3
InChIKey
XBYLWHVCSNQMDJ-UHFFFAOYSA-N
Compound name
tert-butyl 6-oxo-2,3,3a,4,5,6a-hexahydrocyclopenta[b]pyrrole-1-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

5
Patents

225.13649 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 226.143766 154.5
[M+Na]+ 248.125708 161.3
[M-H]- 224.129214 157.5
[M+NH4]+ 243.170313 176.3
[M+K]+ 264.099648 160.3
[M+H-H2O]+ 208.133750 149.9
[M+HCOO]- 270.134691 172.2
[M+CH3COO]- 284.150341 187.7
[M+Na-2H]- 246.111156 155.0
[M]+ 225.13594142 154.3
[M]- 225.13703858 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