CID 16785630

(2-phenoxypyridin-4-yl)methanamine hydrochloride

Structural Information

Molecular Formula
C12H12N2O
SMILES
C1=CC=C(C=C1)OC2=NC=CC(=C2)CN
InChI
InChI=1S/C12H12N2O/c13-9-10-6-7-14-12(8-10)15-11-4-2-1-3-5-11/h1-8H,9,13H2
InChIKey
PJFOUMAUWJEBRT-UHFFFAOYSA-N
Compound name
(2-phenoxypyridin-4-yl)methanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

3
References

15
Patents

200.09496 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 201.10224 142.5
[M+Na]+ 223.08418 150.1
[M-H]- 199.08768 147.5
[M+NH4]+ 218.12878 159.6
[M+K]+ 239.05812 146.5
[M+H-H2O]+ 183.09222 134.4
[M+HCOO]- 245.09316 166.9
[M+CH3COO]- 259.10881 186.0
[M+Na-2H]- 221.06963 150.5
[M]+ 200.09441 141.5
[M]- 200.09551 141.5
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