CID 138040110

2-tert-butyl 5-methyl (3ar,5s,6as)-5-(aminomethyl)-octahydrocyclopenta[c]pyrrole-2,5-dicarboxylate

Structural Information

Molecular Formula
C15H26N2O4
SMILES
CC(C)(C)OC(=O)N1C[C@H]2CC(C[C@H]2C1)(CN)C(=O)OC
InChI
InChI=1S/C15H26N2O4/c1-14(2,3)21-13(19)17-7-10-5-15(9-16,12(18)20-4)6-11(10)8-17/h10-11H,5-9,16H2,1-4H3/t10-,11+,15?
InChIKey
QYKBOBFMTJCAEN-YWXMQNBFSA-N
Compound name
2-O-tert-butyl 5-O-methyl (3aS,6aR)-5-(aminomethyl)-1,3,3a,4,6,6a-hexahydrocyclopenta[c]pyrrole-2,5-dicarboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

298.18927 Da
Monoisotopic Mass

0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 299.19655 172.7
[M+Na]+ 321.17849 177.7
[M-H]- 297.18199 174.9
[M+NH4]+ 316.22309 192.8
[M+K]+ 337.15243 177.0
[M+H-H2O]+ 281.18653 168.4
[M+HCOO]- 343.18747 188.9
[M+CH3COO]- 357.20312 202.9
[M+Na-2H]- 319.16394 172.0
[M]+ 298.18872 172.9
[M]- 298.18982 172.9
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.