CID 137838462

Tert-butyl 3-(2-oxoethyl)-8-azabicyclo[3.2.1]octane-8-carboxylate

Structural Information

Molecular Formula
C14H23NO3
SMILES
CC(C)(C)OC(=O)N1C2CCC1CC(C2)CC=O
InChI
InChI=1S/C14H23NO3/c1-14(2,3)18-13(17)15-11-4-5-12(15)9-10(8-11)6-7-16/h7,10-12H,4-6,8-9H2,1-3H3
InChIKey
IGOOIKREFMDSNG-UHFFFAOYSA-N
Compound name
tert-butyl 3-(2-oxoethyl)-8-azabicyclo[3.2.1]octane-8-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

253.1678 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 254.175076 162.6
[M+Na]+ 276.157018 168.0
[M-H]- 252.160524 163.3
[M+NH4]+ 271.201623 182.1
[M+K]+ 292.130958 166.3
[M+H-H2O]+ 236.165060 157.3
[M+HCOO]- 298.166001 177.2
[M+CH3COO]- 312.181651 195.0
[M+Na-2H]- 274.142466 164.3
[M]+ 253.16725142 162.9
[M]- 253.16834858 162.9
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.