CID 2775051

2-(2,3-dimethylphenoxy)pyridin-3-amine

Structural Information

Molecular Formula
C13H14N2O
SMILES
CC1=C(C(=CC=C1)OC2=C(C=CC=N2)N)C
InChI
InChI=1S/C13H14N2O/c1-9-5-3-7-12(10(9)2)16-13-11(14)6-4-8-15-13/h3-8H,14H2,1-2H3
InChIKey
PIQSAGQZHVNDSE-UHFFFAOYSA-N
Compound name
2-(2,3-dimethylphenoxy)pyridin-3-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

74
Patents

214.11061 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 215.11789 147.5
[M+Na]+ 237.09983 156.6
[M-H]- 213.10333 153.2
[M+NH4]+ 232.14443 164.8
[M+K]+ 253.07377 152.9
[M+H-H2O]+ 197.10787 139.7
[M+HCOO]- 259.10881 171.6
[M+CH3COO]- 273.12446 191.3
[M+Na-2H]- 235.08528 153.4
[M]+ 214.11006 147.7
[M]- 214.11116 147.7
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

patents stripe