CID 72208138

1403766-87-9

Structural Information

Molecular Formula
C14H23NO4
SMILES
CC(C)(C)OC(=O)N1CC2CCC(C1)C2C(=O)OC
InChI
InChI=1S/C14H23NO4/c1-14(2,3)19-13(17)15-7-9-5-6-10(8-15)11(9)12(16)18-4/h9-11H,5-8H2,1-4H3
InChIKey
RFBVTSPWBOBKLB-UHFFFAOYSA-N
Compound name
3-O-tert-butyl 8-O-methyl 3-azabicyclo[3.2.1]octane-3,8-dicarboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

30
Patents

269.16272 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 270.17000 164.9
[M+Na]+ 292.15194 170.0
[M-H]- 268.15544 165.7
[M+NH4]+ 287.19654 183.7
[M+K]+ 308.12588 169.4
[M+H-H2O]+ 252.15998 159.9
[M+HCOO]- 314.16092 178.7
[M+CH3COO]- 328.17657 197.3
[M+Na-2H]- 290.13739 165.8
[M]+ 269.16217 166.0
[M]- 269.16327 166.0
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

patents stripe