CID 154576927

Tert-butyl 1-formyl-3-azabicyclo[3.3.1]nonane-3-carboxylate

Structural Information

Molecular Formula
C14H23NO3
SMILES
CC(C)(C)OC(=O)N1CC2CCCC(C2)(C1)C=O
InChI
InChI=1S/C14H23NO3/c1-13(2,3)18-12(17)15-8-11-5-4-6-14(7-11,9-15)10-16/h10-11H,4-9H2,1-3H3
InChIKey
RJWCMLXIGRAPCS-UHFFFAOYSA-N
Compound name
tert-butyl 1-formyl-3-azabicyclo[3.3.1]nonane-3-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

253.1678 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 254.175076 161.3
[M+Na]+ 276.157018 165.9
[M-H]- 252.160524 161.6
[M+NH4]+ 271.201623 180.6
[M+K]+ 292.130958 164.5
[M+H-H2O]+ 236.165060 155.7
[M+HCOO]- 298.166001 173.6
[M+CH3COO]- 312.181651 193.8
[M+Na-2H]- 274.142466 166.4
[M]+ 253.16725142 159.4
[M]- 253.16834858 159.4
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