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]+ 284.18562 184.0
[M+Na]+ 306.16756 187.8
[M-H]- 282.17106 183.4
[M+NH4]+ 301.21216 201.3
[M+K]+ 322.14150 190.5
[M+H-H2O]+ 266.17560 178.1
[M+HCOO]- 328.17654 194.6
[M+CH3COO]- 342.19219 203.9
[M+Na-2H]- 304.15301 187.9
[M]+ 283.17779 200.4
[M]- 283.17889 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.