CID 16784717

1-(3,4-difluorophenyl)-2-(pyrrolidin-1-yl)ethan-1-amine dihydrochloride

Structural Information

Molecular Formula
C12H16F2N2
SMILES
C1CCN(C1)CC(C2=CC(=C(C=C2)F)F)N
InChI
InChI=1S/C12H16F2N2/c13-10-4-3-9(7-11(10)14)12(15)8-16-5-1-2-6-16/h3-4,7,12H,1-2,5-6,8,15H2
InChIKey
WANRPWULDRGKMW-UHFFFAOYSA-N
Compound name
1-(3,4-difluorophenyl)-2-pyrrolidin-1-ylethanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

226.12816 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 227.13544 149.5
[M+Na]+ 249.11738 155.7
[M-H]- 225.12088 151.4
[M+NH4]+ 244.16198 167.4
[M+K]+ 265.09132 151.9
[M+H-H2O]+ 209.12542 140.2
[M+HCOO]- 271.12636 168.5
[M+CH3COO]- 285.14201 191.9
[M+Na-2H]- 247.10283 149.7
[M]+ 226.12761 142.6
[M]- 226.12871 142.6
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.