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

1
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 152.0
[M+Na]+ 248.12571 155.9
[M+NH4]+ 243.17031 157.5
[M+K]+ 264.09965 151.3
[M-H]- 224.12921 145.3
[M+Na-2H]- 246.11116 148.2
[M]+ 225.13594 149.4
[M]- 225.13704 149.4
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