CID 776826

113248-64-9

Structural Information

Molecular Formula
C13H13FN2
SMILES
C1=CC(=CN=C1)CNCC2=CC=C(C=C2)F
InChI
InChI=1S/C13H13FN2/c14-13-5-3-11(4-6-13)8-16-10-12-2-1-7-15-9-12/h1-7,9,16H,8,10H2
InChIKey
FALPYPALLCTAIS-UHFFFAOYSA-N
Compound name
1-(4-fluorophenyl)-N-(pyridin-3-ylmethyl)methanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

12
Patents

216.10628 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 217.11356 145.9
[M+Na]+ 239.09550 153.2
[M-H]- 215.09900 149.8
[M+NH4]+ 234.14010 162.6
[M+K]+ 255.06944 148.7
[M+H-H2O]+ 199.10354 136.7
[M+HCOO]- 261.10448 169.3
[M+CH3COO]- 275.12013 190.3
[M+Na-2H]- 237.08095 153.8
[M]+ 216.10573 143.8
[M]- 216.10683 143.8
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.