CID 146155401

8-(difluoromethyl)-6-azaspiro[3.4]octane

Structural Information

Molecular Formula
C8H13F2N
SMILES
C1CC2(C1)CNCC2C(F)F
InChI
InChI=1S/C8H13F2N/c9-7(10)6-4-11-5-8(6)2-1-3-8/h6-7,11H,1-5H2
InChIKey
MPQHLIKJBVMKLQ-UHFFFAOYSA-N
Compound name
8-(difluoromethyl)-6-azaspiro[3.4]octane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

161.10161 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 162.108886 133.0
[M+Na]+ 184.090828 138.1
[M-H]- 160.094334 133.1
[M+NH4]+ 179.135433 149.1
[M+K]+ 200.064768 138.4
[M+H-H2O]+ 144.098870 121.7
[M+HCOO]- 206.099811 148.2
[M+CH3COO]- 220.115461 177.2
[M+Na-2H]- 182.076276 135.6
[M]+ 161.10106142 133.1
[M]- 161.10215858 133.1
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

No patent data available for this compound.