CID 129367834

1217656-93-3

Structural Information

Molecular Formula
C14H24N2O4
SMILES
CCOC(=O)[C@@]12CNC[C@@H]1CN(C2)C(=O)OC(C)(C)C
InChI
InChI=1S/C14H24N2O4/c1-5-19-11(17)14-8-15-6-10(14)7-16(9-14)12(18)20-13(2,3)4/h10,15H,5-9H2,1-4H3/t10-,14-/m1/s1
InChIKey
LWIRXZLYPPQKOS-QMTHXVAHSA-N
Compound name
5-O-tert-butyl 3a-O-ethyl (3aR,6aR)-1,2,3,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole-3a,5-dicarboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

284.1736 Da
Monoisotopic Mass

0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 285.18088 170.3
[M+Na]+ 307.16282 175.4
[M-H]- 283.16632 170.2
[M+NH4]+ 302.20742 189.3
[M+K]+ 323.13676 174.4
[M+H-H2O]+ 267.17086 165.3
[M+HCOO]- 329.17180 183.8
[M+CH3COO]- 343.18745 194.5
[M+Na-2H]- 305.14827 170.3
[M]+ 284.17305 170.2
[M]- 284.17415 170.2
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.