CID 148049830

890849-79-3

Structural Information

Molecular Formula
C16H30N2O4
SMILES
CCOC(=O)C(CCC1CCN(CC1)C(=O)OC(C)(C)C)N
InChI
InChI=1S/C16H30N2O4/c1-5-21-14(19)13(17)7-6-12-8-10-18(11-9-12)15(20)22-16(2,3)4/h12-13H,5-11,17H2,1-4H3
InChIKey
JGCUOOHKYVCBFX-UHFFFAOYSA-N
Compound name
tert-butyl 4-(3-amino-4-ethoxy-4-oxobutyl)piperidine-1-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

12
Patents

314.22055 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 315.22783 178.5
[M+Na]+ 337.20977 180.3
[M-H]- 313.21327 178.6
[M+NH4]+ 332.25437 191.1
[M+K]+ 353.18371 180.0
[M+H-H2O]+ 297.21781 171.3
[M+HCOO]- 359.21875 192.3
[M+CH3COO]- 373.23440 208.5
[M+Na-2H]- 335.19522 176.4
[M]+ 314.22000 177.6
[M]- 314.22110 177.6
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