CID 146155472

Tert-butyl 1-formyl-3-azabicyclo[3.1.1]heptane-3-carboxylate

Structural Information

Molecular Formula
C12H19NO3
SMILES
CC(C)(C)OC(=O)N1CC2CC(C2)(C1)C=O
InChI
InChI=1S/C12H19NO3/c1-11(2,3)16-10(15)13-6-9-4-12(5-9,7-13)8-14/h8-9H,4-7H2,1-3H3
InChIKey
SQQGAVDECKFJMV-UHFFFAOYSA-N
Compound name
tert-butyl 1-formyl-3-azabicyclo[3.1.1]heptane-3-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

225.13649 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 226.14377 165.5
[M+Na]+ 248.12571 169.8
[M-H]- 224.12921 162.9
[M+NH4]+ 243.17031 182.1
[M+K]+ 264.09965 171.9
[M+H-H2O]+ 208.13375 156.8
[M+HCOO]- 270.13469 175.0
[M+CH3COO]- 284.15034 195.4
[M+Na-2H]- 246.11116 174.1
[M]+ 225.13594 178.4
[M]- 225.13704 178.4
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