CID 137935478

2248315-70-8

Structural Information

Molecular Formula
C14H26N2O3
SMILES
CC(C)(C)OC(=O)NCC12CCC(CC1)(OC2)CN
InChI
InChI=1S/C14H26N2O3/c1-12(2,3)19-11(17)16-9-13-4-6-14(8-15,7-5-13)18-10-13/h4-10,15H2,1-3H3,(H,16,17)
InChIKey
JECJGHYPRJTCES-UHFFFAOYSA-N
Compound name
tert-butyl N-[[1-(aminomethyl)-2-oxabicyclo[2.2.2]octan-4-yl]methyl]carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

270.19434 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 271.20162 166.6
[M+Na]+ 293.18356 168.8
[M-H]- 269.18706 162.4
[M+NH4]+ 288.22816 188.9
[M+K]+ 309.15750 168.7
[M+H-H2O]+ 253.19160 162.1
[M+HCOO]- 315.19254 175.2
[M+CH3COO]- 329.20819 204.5
[M+Na-2H]- 291.16901 178.7
[M]+ 270.19379 168.5
[M]- 270.19489 168.5
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.