CID 165588983

2731009-73-5

Structural Information

Molecular Formula
C17H29NO5
SMILES
CC(C)(C)OC(=O)C12CC(C1)(CN(C2)C(=O)OC(C)(C)C)CO
InChI
InChI=1S/C17H29NO5/c1-14(2,3)22-12(20)17-7-16(8-17,11-19)9-18(10-17)13(21)23-15(4,5)6/h19H,7-11H2,1-6H3
InChIKey
VQKRUGGWIZTXKG-UHFFFAOYSA-N
Compound name
ditert-butyl 5-(hydroxymethyl)-3-azabicyclo[3.1.1]heptane-1,3-dicarboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

327.20456 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 328.21184 180.7
[M+Na]+ 350.19378 181.6
[M+NH4]+ 345.23838 184.9
[M+K]+ 366.16772 177.5
[M-H]- 326.19728 171.5
[M+Na-2H]- 348.17923 175.7
[M]+ 327.20401 177.1
[M]- 327.20511 177.1
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.