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]+ 271.201616 166.6
[M+Na]+ 293.183558 168.8
[M-H]- 269.187064 162.4
[M+NH4]+ 288.228163 188.9
[M+K]+ 309.157498 168.7
[M+H-H2O]+ 253.191600 162.1
[M+HCOO]- 315.192541 175.2
[M+CH3COO]- 329.208191 204.5
[M+Na-2H]- 291.169006 178.7
[M]+ 270.19379142 168.5
[M]- 270.19488858 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.