CID 10966288

Tert-butyl 1,4,7-triazonane-1-carboxylate

Structural Information

Molecular Formula
C11H23N3O2
SMILES
CC(C)(C)OC(=O)N1CCNCCNCC1
InChI
InChI=1S/C11H23N3O2/c1-11(2,3)16-10(15)14-8-6-12-4-5-13-7-9-14/h12-13H,4-9H2,1-3H3
InChIKey
JUXSGTOWKOLPFV-UHFFFAOYSA-N
Compound name
tert-butyl 1,4,7-triazonane-1-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

26
Patents

229.17903 Da
Monoisotopic Mass

0.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 230.18631 191.7
[M+Na]+ 252.16825 193.8
[M-H]- 228.17175 191.8
[M+NH4]+ 247.21285 192.0
[M+K]+ 268.14219 191.5
[M+H-H2O]+ 212.17629 183.3
[M+HCOO]- 274.17723 192.7
[M+CH3COO]- 288.19288 193.4
[M+Na-2H]- 250.15370 194.4
[M]+ 229.17848 192.2
[M]- 229.17958 192.2
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