CID 139026751

2114978-68-4

Structural Information

Molecular Formula
C15H26N2O4
SMILES
CC(C)(C)OC(=O)N1CC2CC(CC(C1)C2N)C(=O)OC
InChI
InChI=1S/C15H26N2O4/c1-15(2,3)21-14(19)17-7-10-5-9(13(18)20-4)6-11(8-17)12(10)16/h9-12H,5-8,16H2,1-4H3
InChIKey
WZOSRKHNPAKZFS-UHFFFAOYSA-N
Compound name
3-O-tert-butyl 7-O-methyl 9-amino-3-azabicyclo[3.3.1]nonane-3,7-dicarboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

298.18927 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 299.19655 171.7
[M+Na]+ 321.17849 175.4
[M-H]- 297.18199 171.6
[M+NH4]+ 316.22309 187.0
[M+K]+ 337.15243 174.7
[M+H-H2O]+ 281.18653 165.7
[M+HCOO]- 343.18747 183.2
[M+CH3COO]- 357.20312 206.8
[M+Na-2H]- 319.16394 172.4
[M]+ 298.18872 169.7
[M]- 298.18982 169.7
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.