CID 146049860

2413874-49-2

Structural Information

Molecular Formula
C8H13F2N
SMILES
CC12CCNCC1(C2(F)F)C
InChI
InChI=1S/C8H13F2N/c1-6-3-4-11-5-7(6,2)8(6,9)10/h11H,3-5H2,1-2H3
InChIKey
GONKSASQTXBOCF-UHFFFAOYSA-N
Compound name
7,7-difluoro-1,6-dimethyl-3-azabicyclo[4.1.0]heptane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

161.10161 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 162.108886 135.1
[M+Na]+ 184.090828 145.6
[M-H]- 160.094334 135.8
[M+NH4]+ 179.135433 155.7
[M+K]+ 200.064768 144.2
[M+H-H2O]+ 144.098870 129.7
[M+HCOO]- 206.099811 149.8
[M+CH3COO]- 220.115461 179.0
[M+Na-2H]- 182.076276 143.1
[M]+ 161.10106142 132.5
[M]- 161.10215858 132.5
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.