CID 49761235

2580179-30-0

Structural Information

Molecular Formula
C16H28N2O4
SMILES
CCOC(=O)C1CC2(CCN(CC2)C(=O)OC(C)(C)C)CN1
InChI
InChI=1S/C16H28N2O4/c1-5-21-13(19)12-10-16(11-17-12)6-8-18(9-7-16)14(20)22-15(2,3)4/h12,17H,5-11H2,1-4H3
InChIKey
WXRWBESBLVCYGR-UHFFFAOYSA-N
Compound name
8-O-tert-butyl 3-O-ethyl 2,8-diazaspiro[4.5]decane-3,8-dicarboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

62
Patents

312.2049 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 313.212176 177.4
[M+Na]+ 335.194118 180.5
[M-H]- 311.197624 177.7
[M+NH4]+ 330.238723 192.6
[M+K]+ 351.168058 179.0
[M+H-H2O]+ 295.202160 170.9
[M+HCOO]- 357.203101 188.2
[M+CH3COO]- 371.218751 199.6
[M+Na-2H]- 333.179566 176.7
[M]+ 312.20435142 173.9
[M]- 312.20544858 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

patents stripe