CID 61238622

Tert-butyl 3-(ethylamino)-8-azabicyclo[3.2.1]octane-8-carboxylate

Structural Information

Molecular Formula
C14H26N2O2
SMILES
CCNC1CC2CCC(C1)N2C(=O)OC(C)(C)C
InChI
InChI=1S/C14H26N2O2/c1-5-15-10-8-11-6-7-12(9-10)16(11)13(17)18-14(2,3)4/h10-12,15H,5-9H2,1-4H3
InChIKey
NPXKLAYCTDTUCO-UHFFFAOYSA-N
Compound name
tert-butyl 3-(ethylamino)-8-azabicyclo[3.2.1]octane-8-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

254.19943 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 255.206706 164.4
[M+Na]+ 277.188648 168.7
[M-H]- 253.192154 165.0
[M+NH4]+ 272.233253 183.7
[M+K]+ 293.162588 167.1
[M+H-H2O]+ 237.196690 158.8
[M+HCOO]- 299.197631 179.6
[M+CH3COO]- 313.213281 198.7
[M+Na-2H]- 275.174096 166.5
[M]+ 254.19888142 163.2
[M]- 254.19997858 163.2
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.