CID 138049413

2248271-11-4

Structural Information

Molecular Formula
C13H24N2O3
SMILES
CC(C)(C)OC(=O)NCC12CCC(CC1)(CO2)N
InChI
InChI=1S/C13H24N2O3/c1-11(2,3)18-10(16)15-8-13-6-4-12(14,5-7-13)9-17-13/h4-9,14H2,1-3H3,(H,15,16)
InChIKey
IOLQBNHVTAOWSI-UHFFFAOYSA-N
Compound name
tert-butyl N-[(4-amino-2-oxabicyclo[2.2.2]octan-1-yl)methyl]carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

256.17868 Da
Monoisotopic Mass

0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 257.18596 162.0
[M+Na]+ 279.16790 164.7
[M-H]- 255.17140 158.1
[M+NH4]+ 274.21250 185.0
[M+K]+ 295.14184 164.9
[M+H-H2O]+ 239.17594 157.8
[M+HCOO]- 301.17688 171.1
[M+CH3COO]- 315.19253 201.6
[M+Na-2H]- 277.15335 174.7
[M]+ 256.17813 163.7
[M]- 256.17923 163.7
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.