CID 90334

2-amino-3-benzyloxypyridine

Structural Information

Molecular Formula
C12H12N2O
SMILES
C1=CC=C(C=C1)COC2=C(N=CC=C2)N
InChI
InChI=1S/C12H12N2O/c13-12-11(7-4-8-14-12)15-9-10-5-2-1-3-6-10/h1-8H,9H2,(H2,13,14)
InChIKey
NMCBWICNRJLKKM-UHFFFAOYSA-N
Compound name
3-phenylmethoxypyridin-2-amine
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

9
References

741
Patents

200.09496 Da
Monoisotopic Mass

2.0
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