CID 60145128

2742659-42-1

Structural Information

Molecular Formula
C13H22N2O4
SMILES
CC(C)(C)OC(=O)N1C2CCC1(CNC2)C(=O)OC
InChI
InChI=1S/C13H22N2O4/c1-12(2,3)19-11(17)15-9-5-6-13(15,8-14-7-9)10(16)18-4/h9,14H,5-8H2,1-4H3
InChIKey
AYCQTHMFGGLVNQ-UHFFFAOYSA-N
Compound name
8-O-tert-butyl 1-O-methyl 3,8-diazabicyclo[3.2.1]octane-1,8-dicarboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

15
Patents

270.15796 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 271.16524 165.4
[M+Na]+ 293.14718 170.6
[M-H]- 269.15068 163.5
[M+NH4]+ 288.19178 183.8
[M+K]+ 309.12112 169.6
[M+H-H2O]+ 253.15522 160.4
[M+HCOO]- 315.15616 176.7
[M+CH3COO]- 329.17181 192.9
[M+Na-2H]- 291.13263 168.3
[M]+ 270.15741 164.9
[M]- 270.15851 164.9
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

patents stripe