CID 18540412

335621-00-6

Structural Information

Molecular Formula
C11H20N2O3
SMILES
CC(C)(C)OC(=O)N1CC2CNCC(C1)O2
InChI
InChI=1S/C11H20N2O3/c1-11(2,3)16-10(14)13-6-8-4-12-5-9(7-13)15-8/h8-9,12H,4-7H2,1-3H3
InChIKey
LHJSYLNUEZBFED-UHFFFAOYSA-N
Compound name
tert-butyl 9-oxa-3,7-diazabicyclo[3.3.1]nonane-3-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

197
Patents

228.1474 Da
Monoisotopic Mass

0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 229.15468 154.5
[M+Na]+ 251.13662 158.8
[M-H]- 227.14012 152.8
[M+NH4]+ 246.18122 169.5
[M+K]+ 267.11056 158.5
[M+H-H2O]+ 211.14466 147.9
[M+HCOO]- 273.14560 164.0
[M+CH3COO]- 287.16125 186.5
[M+Na-2H]- 249.12207 160.2
[M]+ 228.14685 151.2
[M]- 228.14795 151.2
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

patents stripe