CID 139022789

Tert-butyl 1-fluoro-5-formyl-3-azabicyclo[3.1.1]heptane-3-carboxylate

Structural Information

Molecular Formula
C12H18FNO3
SMILES
CC(C)(C)OC(=O)N1CC2(CC(C2)(C1)F)C=O
InChI
InChI=1S/C12H18FNO3/c1-10(2,3)17-9(16)14-6-11(8-15)4-12(13,5-11)7-14/h8H,4-7H2,1-3H3
InChIKey
WMGVVACFAUMAHK-UHFFFAOYSA-N
Compound name
tert-butyl 1-fluoro-5-formyl-3-azabicyclo[3.1.1]heptane-3-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

243.12708 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 244.13436 171.3
[M+Na]+ 266.11630 176.8
[M-H]- 242.11980 167.7
[M+NH4]+ 261.16090 189.0
[M+K]+ 282.09024 178.2
[M+H-H2O]+ 226.12434 162.3
[M+HCOO]- 288.12528 179.6
[M+CH3COO]- 302.14093 197.7
[M+Na-2H]- 264.10175 180.1
[M]+ 243.12653 183.5
[M]- 243.12763 183.5
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.