CID 165942567

2694734-32-0

Structural Information

Molecular Formula
C15H25NO4
SMILES
CC(C)(C)OC(=O)C12CC(C1)CN2C(=O)OC(C)(C)C
InChI
InChI=1S/C15H25NO4/c1-13(2,3)19-11(17)15-7-10(8-15)9-16(15)12(18)20-14(4,5)6/h10H,7-9H2,1-6H3
InChIKey
MEKWRCCWROBOEJ-UHFFFAOYSA-N
Compound name
ditert-butyl 2-azabicyclo[2.1.1]hexane-1,2-dicarboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

283.17834 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 284.185616 184.0
[M+Na]+ 306.167558 187.8
[M-H]- 282.171064 183.4
[M+NH4]+ 301.212163 201.3
[M+K]+ 322.141498 190.5
[M+H-H2O]+ 266.175600 178.1
[M+HCOO]- 328.176541 194.6
[M+CH3COO]- 342.192191 203.9
[M+Na-2H]- 304.153006 187.9
[M]+ 283.17779142 200.4
[M]- 283.17888858 200.4
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.