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]+ 162.10889 133.0
[M+Na]+ 184.09083 138.1
[M-H]- 160.09433 133.1
[M+NH4]+ 179.13543 149.1
[M+K]+ 200.06477 138.4
[M+H-H2O]+ 144.09887 121.7
[M+HCOO]- 206.09981 148.2
[M+CH3COO]- 220.11546 177.2
[M+Na-2H]- 182.07628 135.6
[M]+ 161.10106 133.1
[M]- 161.10216 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.