CID 139023979

2168194-58-7

Structural Information

Molecular Formula
C10H12F2N2
SMILES
C1C(CC1(F)F)(CN)C2=CC=NC=C2
InChI
InChI=1S/C10H12F2N2/c11-10(12)5-9(6-10,7-13)8-1-3-14-4-2-8/h1-4H,5-7,13H2
InChIKey
SMFJZQSCBIARCF-UHFFFAOYSA-N
Compound name
(3,3-difluoro-1-pyridin-4-ylcyclobutyl)methanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

198.09685 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 199.10413 143.0
[M+Na]+ 221.08607 150.7
[M-H]- 197.08957 145.8
[M+NH4]+ 216.13067 157.9
[M+K]+ 237.06001 150.3
[M+H-H2O]+ 181.09411 130.7
[M+HCOO]- 243.09505 162.5
[M+CH3COO]- 257.11070 188.3
[M+Na-2H]- 219.07152 149.5
[M]+ 198.09630 146.7
[M]- 198.09740 146.7
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.