CID 61255489

[2-(benzyloxy)-4,6-dimethylpyridin-3-yl]methanol

Structural Information

Molecular Formula
C15H17NO2
SMILES
CC1=CC(=NC(=C1CO)OCC2=CC=CC=C2)C
InChI
InChI=1S/C15H17NO2/c1-11-8-12(2)16-15(14(11)9-17)18-10-13-6-4-3-5-7-13/h3-8,17H,9-10H2,1-2H3
InChIKey
WOMRXVMNTPLEGH-UHFFFAOYSA-N
Compound name
(4,6-dimethyl-2-phenylmethoxypyridin-3-yl)methanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

70
Patents

243.12593 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 244.13321 155.5
[M+Na]+ 266.11515 164.0
[M-H]- 242.11865 160.0
[M+NH4]+ 261.15975 171.4
[M+K]+ 282.08909 160.0
[M+H-H2O]+ 226.12319 147.6
[M+HCOO]- 288.12413 177.2
[M+CH3COO]- 302.13978 192.6
[M+Na-2H]- 264.10060 160.5
[M]+ 243.12538 157.6
[M]- 243.12648 157.6
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