CID 25219490

[4-(pyridin-3-yloxy)benzyl]amine dihydrochloride

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

0
References

40
Patents

200.09496 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 201.10224 143.5
[M+Na]+ 223.08418 158.0
[M+NH4]+ 218.12878 152.5
[M+K]+ 239.05812 150.3
[M-H]- 199.08768 148.5
[M+Na-2H]- 221.06963 153.9
[M]+ 200.09441 147.0
[M]- 200.09551 147.0
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