CID 293794

63361-56-8

Structural Information

Molecular Formula
C13H14N2
SMILES
C1=CC=C(C=C1)CNCC2=CN=CC=C2
InChI
InChI=1S/C13H14N2/c1-2-5-12(6-3-1)9-15-11-13-7-4-8-14-10-13/h1-8,10,15H,9,11H2
InChIKey
COHYOBKZKMKMIX-UHFFFAOYSA-N
Compound name
1-phenyl-N-(pyridin-3-ylmethyl)methanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

102
Patents

198.11569 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 199.12297 144.9
[M+Na]+ 221.10491 159.6
[M+NH4]+ 216.14951 154.4
[M+K]+ 237.07885 150.7
[M-H]- 197.10841 150.5
[M+Na-2H]- 219.09036 156.2
[M]+ 198.11514 148.7
[M]- 198.11624 148.7
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