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 (3aR,6aS)-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]+ 299.196546 172.7
[M+Na]+ 321.178488 177.7
[M-H]- 297.181994 174.9
[M+NH4]+ 316.223093 192.8
[M+K]+ 337.152428 177.0
[M+H-H2O]+ 281.186530 168.4
[M+HCOO]- 343.187471 188.9
[M+CH3COO]- 357.203121 202.9
[M+Na-2H]- 319.163936 172.0
[M]+ 298.18872142 172.9
[M]- 298.18981858 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.