CID 124222548

1369496-58-1

Structural Information

Molecular Formula
C14H21NO5
SMILES
CC(C)(C)OC(=O)N1CC2CC(=O)C(C2C1)C(=O)OC
InChI
InChI=1S/C14H21NO5/c1-14(2,3)20-13(18)15-6-8-5-10(16)11(9(8)7-15)12(17)19-4/h8-9,11H,5-7H2,1-4H3
InChIKey
MLQGVKOJXVIEKS-UHFFFAOYSA-N
Compound name
2-O-tert-butyl 4-O-methyl 5-oxo-1,3,3a,4,6,6a-hexahydrocyclopenta[c]pyrrole-2,4-dicarboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

283.14197 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 284.14925 166.3
[M+Na]+ 306.13119 172.8
[M-H]- 282.13469 169.4
[M+NH4]+ 301.17579 185.8
[M+K]+ 322.10513 172.5
[M+H-H2O]+ 266.13923 162.0
[M+HCOO]- 328.14017 182.9
[M+CH3COO]- 342.15582 198.5
[M+Na-2H]- 304.11664 164.7
[M]+ 283.14142 168.8
[M]- 283.14252 168.8
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.