CID 44890953

886362-37-4

Structural Information

Molecular Formula
C15H28N2O4
SMILES
CCOC(=O)CC(C1CCN(CC1)C(=O)OC(C)(C)C)N
InChI
InChI=1S/C15H28N2O4/c1-5-20-13(18)10-12(16)11-6-8-17(9-7-11)14(19)21-15(2,3)4/h11-12H,5-10,16H2,1-4H3
InChIKey
LIWIVVWMLYSOFS-UHFFFAOYSA-N
Compound name
tert-butyl 4-(1-amino-3-ethoxy-3-oxopropyl)piperidine-1-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

9
Patents

300.2049 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 301.21218 174.0
[M+Na]+ 323.19412 176.2
[M-H]- 299.19762 174.3
[M+NH4]+ 318.23872 187.2
[M+K]+ 339.16806 176.1
[M+H-H2O]+ 283.20216 167.0
[M+HCOO]- 345.20310 188.2
[M+CH3COO]- 359.21875 205.5
[M+Na-2H]- 321.17957 172.4
[M]+ 300.20435 172.7
[M]- 300.20545 172.7
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