CID 105511762

1779398-44-5

Structural Information

Molecular Formula
C12H20N2O4
SMILES
CC(C)(C)OC(=O)N1CC2(CC1CN2)C(=O)OC
InChI
InChI=1S/C12H20N2O4/c1-11(2,3)18-10(16)14-7-12(9(15)17-4)5-8(14)6-13-12/h8,13H,5-7H2,1-4H3
InChIKey
JPPANCGNMIRXDL-UHFFFAOYSA-N
Compound name
5-O-tert-butyl 1-O-methyl 2,5-diazabicyclo[2.2.1]heptane-1,5-dicarboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

256.1423 Da
Monoisotopic Mass

0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 257.14958 162.2
[M+Na]+ 279.13152 168.5
[M-H]- 255.13502 161.0
[M+NH4]+ 274.17612 183.0
[M+K]+ 295.10546 167.8
[M+H-H2O]+ 239.13956 157.9
[M+HCOO]- 301.14050 176.0
[M+CH3COO]- 315.15615 189.8
[M+Na-2H]- 277.11697 164.2
[M]+ 256.14175 163.3
[M]- 256.14285 163.3
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.