CID 130578184

5-(2,2-difluoroethyl)-octahydro-1h-pyrrolo[3,4-c]pyridine

Structural Information

Molecular Formula
C9H16F2N2
SMILES
C1CN(CC2C1CNC2)CC(F)F
InChI
InChI=1S/C9H16F2N2/c10-9(11)6-13-2-1-7-3-12-4-8(7)5-13/h7-9,12H,1-6H2
InChIKey
HUKICEHPPOVBQZ-UHFFFAOYSA-N
Compound name
5-(2,2-difluoroethyl)-1,2,3,3a,4,6,7,7a-octahydropyrrolo[3,4-c]pyridine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

190.12816 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 191.13544 142.8
[M+Na]+ 213.11738 147.7
[M-H]- 189.12088 139.2
[M+NH4]+ 208.16198 161.4
[M+K]+ 229.09132 144.6
[M+H-H2O]+ 173.12542 133.9
[M+HCOO]- 235.12636 154.8
[M+CH3COO]- 249.14201 180.4
[M+Na-2H]- 211.10283 143.6
[M]+ 190.12761 133.0
[M]- 190.12871 133.0
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.