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-phenylmethoxy-3-pyridinyl)methanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

65
Patents

243.12593 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 244.133206 155.5
[M+Na]+ 266.115148 164.0
[M-H]- 242.118654 160.0
[M+NH4]+ 261.159753 171.4
[M+K]+ 282.089088 160.0
[M+H-H2O]+ 226.123190 147.6
[M+HCOO]- 288.124131 177.2
[M+CH3COO]- 302.139781 192.6
[M+Na-2H]- 264.100596 160.5
[M]+ 243.12538142 157.6
[M]- 243.12647858 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