CID 16792959

954259-04-2

Structural Information

Molecular Formula
C13H14N2O
SMILES
CC1=CC=CC=C1OC2=NC=C(C=C2)CN
InChI
InChI=1S/C13H14N2O/c1-10-4-2-3-5-12(10)16-13-7-6-11(8-14)9-15-13/h2-7,9H,8,14H2,1H3
InChIKey
QIGUUIFZSGLUBR-UHFFFAOYSA-N
Compound name
[6-(2-methylphenoxy)pyridin-3-yl]methanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

214.11061 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 215.11789 147.9
[M+Na]+ 237.09983 162.6
[M+NH4]+ 232.14443 156.7
[M+K]+ 253.07377 154.8
[M-H]- 213.10333 152.9
[M+Na-2H]- 235.08528 157.8
[M]+ 214.11006 151.5
[M]- 214.11116 151.5
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.