CID 155977935

8-tert-butyl 4-ethyl 1,8-diazaspiro[4.5]decane-4,8-dicarboxylate hydrochloride

Structural Information

Molecular Formula
C16H28N2O4
SMILES
CCOC(=O)C1CCNC12CCN(CC2)C(=O)OC(C)(C)C
InChI
InChI=1S/C16H28N2O4/c1-5-21-13(19)12-6-9-17-16(12)7-10-18(11-8-16)14(20)22-15(2,3)4/h12,17H,5-11H2,1-4H3
InChIKey
HPDNDBUNZWYUJS-UHFFFAOYSA-N
Compound name
8-O-tert-butyl 4-O-ethyl 1,8-diazaspiro[4.5]decane-4,8-dicarboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

312.2049 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 313.21218 177.4
[M+Na]+ 335.19412 180.5
[M-H]- 311.19762 177.7
[M+NH4]+ 330.23872 192.6
[M+K]+ 351.16806 179.0
[M+H-H2O]+ 295.20216 170.9
[M+HCOO]- 357.20310 188.2
[M+CH3COO]- 371.21875 199.6
[M+Na-2H]- 333.17957 176.7
[M]+ 312.20435 173.9
[M]- 312.20545 173.9
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.