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

11
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

literature stripe

Patent stripe

patents stripe