CID 132327615

Tert-butyl 8-oxo-1,4,7-triazecane-4-carboxylate

Structural Information

Molecular Formula
C12H23N3O3
SMILES
CC(C)(C)OC(=O)N1CCNCCC(=O)NCC1
InChI
InChI=1S/C12H23N3O3/c1-12(2,3)18-11(17)15-8-6-13-5-4-10(16)14-7-9-15/h13H,4-9H2,1-3H3,(H,14,16)
InChIKey
GJJAUPAOIYWSRK-UHFFFAOYSA-N
Compound name
tert-butyl 8-oxo-1,4,7-triazecane-4-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

257.17395 Da
Monoisotopic Mass

-0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 258.18123 162.5
[M+Na]+ 280.16317 165.9
[M-H]- 256.16667 155.7
[M+NH4]+ 275.20777 171.2
[M+K]+ 296.13711 164.3
[M+H-H2O]+ 240.17121 157.9
[M+HCOO]- 302.17215 171.5
[M+CH3COO]- 316.18780 183.7
[M+Na-2H]- 278.14862 163.0
[M]+ 257.17340 153.1
[M]- 257.17450 153.1
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.