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]+ 254.17508 161.3
[M+Na]+ 276.15702 165.9
[M-H]- 252.16052 161.6
[M+NH4]+ 271.20162 180.6
[M+K]+ 292.13096 164.5
[M+H-H2O]+ 236.16506 155.7
[M+HCOO]- 298.16600 173.6
[M+CH3COO]- 312.18165 193.8
[M+Na-2H]- 274.14247 166.4
[M]+ 253.16725 159.4
[M]- 253.16835 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