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]+ 257.149576 162.2
[M+Na]+ 279.131518 168.5
[M-H]- 255.135024 161.0
[M+NH4]+ 274.176123 183.0
[M+K]+ 295.105458 167.8
[M+H-H2O]+ 239.139560 157.9
[M+HCOO]- 301.140501 176.0
[M+CH3COO]- 315.156151 189.8
[M+Na-2H]- 277.116966 164.2
[M]+ 256.14175142 163.3
[M]- 256.14284858 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.