CID 162422741

Tert-butyl 10-oxo-2,5,9-triazaspiro[3.6]decane-2-carboxylate

Structural Information

Molecular Formula
C12H21N3O3
SMILES
CC(C)(C)OC(=O)N1CC2(C1)C(=O)NCCCN2
InChI
InChI=1S/C12H21N3O3/c1-11(2,3)18-10(17)15-7-12(8-15)9(16)13-5-4-6-14-12/h14H,4-8H2,1-3H3,(H,13,16)
InChIKey
IZOWNDIPYZIZJH-UHFFFAOYSA-N
Compound name
tert-butyl 10-oxo-2,5,9-triazaspiro[3.6]decane-2-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

255.1583 Da
Monoisotopic Mass

-0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 256.16558 161.2
[M+Na]+ 278.14752 163.6
[M-H]- 254.15102 160.6
[M+NH4]+ 273.19212 168.0
[M+K]+ 294.12146 167.1
[M+H-H2O]+ 238.15556 149.2
[M+HCOO]- 300.15650 170.0
[M+CH3COO]- 314.17215 192.1
[M+Na-2H]- 276.13297 163.5
[M]+ 255.15775 161.2
[M]- 255.15885 161.2
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

No patent data available for this compound.