CID 171935330

Tert-butyl 6,9-diazaspiro[3.6]decane-6-carboxylate

Structural Information

Molecular Formula
C13H24N2O2
SMILES
CC(C)(C)OC(=O)N1CCNCC2(C1)CCC2
InChI
InChI=1S/C13H24N2O2/c1-12(2,3)17-11(16)15-8-7-14-9-13(10-15)5-4-6-13/h14H,4-10H2,1-3H3
InChIKey
YVRIFONEWWFWPU-UHFFFAOYSA-N
Compound name
tert-butyl 6,9-diazaspiro[3.6]decane-9-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

240.18378 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 241.19106 157.0
[M+Na]+ 263.17300 158.5
[M-H]- 239.17650 158.6
[M+NH4]+ 258.21760 166.2
[M+K]+ 279.14694 162.2
[M+H-H2O]+ 223.18104 146.2
[M+HCOO]- 285.18198 167.9
[M+CH3COO]- 299.19763 192.2
[M+Na-2H]- 261.15845 160.0
[M]+ 240.18323 157.5
[M]- 240.18433 157.5
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.