CID 135396402

Tert-butyl (1r,5s)-6-fluoro-3-azabicyclo[3.1.0]hexane-3-carboxylate

Structural Information

Molecular Formula
C10H16FNO2
SMILES
CC(C)(C)OC(=O)N1C[C@@H]2[C@H](C1)C2F
InChI
InChI=1S/C10H16FNO2/c1-10(2,3)14-9(13)12-4-6-7(5-12)8(6)11/h6-8H,4-5H2,1-3H3/t6-,7+,8?
InChIKey
PWVZWVLITJOCRD-DHBOJHSNSA-N
Compound name
tert-butyl (1R,5S)-6-fluoro-3-azabicyclo[3.1.0]hexane-3-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

201.1165 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 202.12378 147.0
[M+Na]+ 224.10572 157.2
[M-H]- 200.10922 149.8
[M+NH4]+ 219.15032 163.4
[M+K]+ 240.07966 154.1
[M+H-H2O]+ 184.11376 140.9
[M+HCOO]- 246.11470 164.5
[M+CH3COO]- 260.13035 188.2
[M+Na-2H]- 222.09117 149.8
[M]+ 201.11595 149.8
[M]- 201.11705 149.8
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