CID 251943

7254-17-3

Structural Information

Molecular Formula
C15H18N2O2
SMILES
C1=CC=C(C=C1)CN(CCO)CC2=C(C=CC=N2)O
InChI
InChI=1S/C15H18N2O2/c18-10-9-17(11-13-5-2-1-3-6-13)12-14-15(19)7-4-8-16-14/h1-8,18-19H,9-12H2
InChIKey
AFLXMTXOVRGNMC-UHFFFAOYSA-N
Compound name
2-[[benzyl(2-hydroxyethyl)amino]methyl]pyridin-3-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

5
References

11
Patents

258.13684 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 259.144116 159.4
[M+Na]+ 281.126058 164.8
[M-H]- 257.129564 163.0
[M+NH4]+ 276.170663 173.5
[M+K]+ 297.099998 161.1
[M+H-H2O]+ 241.134100 150.7
[M+HCOO]- 303.135041 181.1
[M+CH3COO]- 317.150691 196.1
[M+Na-2H]- 279.111506 165.1
[M]+ 258.13629142 159.4
[M]- 258.13738858 159.4
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