CID 86330775

1217315-21-3

Structural Information

Molecular Formula
C15H17NO3
SMILES
C1[C@@H]2CN(C[C@@H]2CC1=O)C(=O)OCC3=CC=CC=C3
InChI
InChI=1S/C15H17NO3/c17-14-6-12-8-16(9-13(12)7-14)15(18)19-10-11-4-2-1-3-5-11/h1-5,12-13H,6-10H2/t12-,13+
InChIKey
UKDGMCVWUBALEW-BETUJISGSA-N
Compound name
benzyl (3aS,6aR)-5-oxo-1,3,3a,4,6,6a-hexahydrocyclopenta[c]pyrrole-2-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

59
Patents

259.12085 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 260.12813 160.5
[M+Na]+ 282.11007 166.7
[M-H]- 258.11357 166.5
[M+NH4]+ 277.15467 180.2
[M+K]+ 298.08401 163.9
[M+H-H2O]+ 242.11811 153.6
[M+HCOO]- 304.11905 180.3
[M+CH3COO]- 318.13470 192.7
[M+Na-2H]- 280.09552 160.1
[M]+ 259.12030 159.4
[M]- 259.12140 159.4
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