CID 71755802

Tert-butyl 6,6-difluoro-2-azabicyclo[3.1.0]hexane-2-carboxylate

Structural Information

Molecular Formula
C10H15F2NO2
SMILES
CC(C)(C)OC(=O)N1CCC2C1C2(F)F
InChI
InChI=1S/C10H15F2NO2/c1-9(2,3)15-8(14)13-5-4-6-7(13)10(6,11)12/h6-7H,4-5H2,1-3H3
InChIKey
RYCLZPJKWUKFKM-UHFFFAOYSA-N
Compound name
tert-butyl 6,6-difluoro-2-azabicyclo[3.1.0]hexane-2-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

12
Patents

219.10709 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 220.11437 148.0
[M+Na]+ 242.09631 158.8
[M-H]- 218.09981 149.8
[M+NH4]+ 237.14091 165.5
[M+K]+ 258.07025 156.2
[M+H-H2O]+ 202.10435 142.2
[M+HCOO]- 264.10529 164.1
[M+CH3COO]- 278.12094 190.4
[M+Na-2H]- 240.08176 151.6
[M]+ 219.10654 150.1
[M]- 219.10764 150.1
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