CID 42614152

Tert-butyl 1,7-diazaspiro[4.5]decane-7-carboxylate

Structural Information

Molecular Formula
C13H24N2O2
SMILES
CC(C)(C)OC(=O)N1CCCC2(C1)CCCN2
InChI
InChI=1S/C13H24N2O2/c1-12(2,3)17-11(16)15-9-5-7-13(10-15)6-4-8-14-13/h14H,4-10H2,1-3H3
InChIKey
PDFULYHFVRJQJO-UHFFFAOYSA-N
Compound name
tert-butyl 1,9-diazaspiro[4.5]decane-9-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

13
Patents

240.18378 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 241.19106 161.2
[M+Na]+ 263.17300 164.7
[M-H]- 239.17650 161.5
[M+NH4]+ 258.21760 179.2
[M+K]+ 279.14694 162.8
[M+H-H2O]+ 223.18104 154.4
[M+HCOO]- 285.18198 173.3
[M+CH3COO]- 299.19763 185.8
[M+Na-2H]- 261.15845 163.0
[M]+ 240.18323 154.5
[M]- 240.18433 154.5
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

patents stripe