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 147.4
[M+Na]+ 237.09983 155.5
[M-H]- 213.10333 152.6
[M+NH4]+ 232.14443 164.2
[M+K]+ 253.07377 151.7
[M+H-H2O]+ 197.10787 139.2
[M+HCOO]- 259.10881 171.5
[M+CH3COO]- 273.12446 190.1
[M+Na-2H]- 235.08528 154.0
[M]+ 214.11006 147.1
[M]- 214.11116 147.1
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.