CID 138040578

2243507-85-7

Structural Information

Molecular Formula
C12H19NO3
SMILES
CC(C)(C)OC(=O)N1CC(=O)C2C1CCC2
InChI
InChI=1S/C12H19NO3/c1-12(2,3)16-11(15)13-7-10(14)8-5-4-6-9(8)13/h8-9H,4-7H2,1-3H3
InChIKey
JOCXFHAYSWYBDR-UHFFFAOYSA-N
Compound name
tert-butyl 3-oxo-2,3a,4,5,6,6a-hexahydrocyclopenta[b]pyrrole-1-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

225.13649 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 226.14377 154.5
[M+Na]+ 248.12571 161.3
[M-H]- 224.12921 157.5
[M+NH4]+ 243.17031 176.3
[M+K]+ 264.09965 160.3
[M+H-H2O]+ 208.13375 149.9
[M+HCOO]- 270.13469 172.2
[M+CH3COO]- 284.15034 187.7
[M+Na-2H]- 246.11116 155.0
[M]+ 225.13594 154.3
[M]- 225.13704 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

No patent data available for this compound.