CID 25219490

1-[4-(pyridin-3-yloxy)phenyl]methanamine 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

30
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 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

No literature data available for this compound.

Patent stripe

patents stripe