CID 585940

2-(2-hydroxy-2-p-methoxyphenylethyl)-3,5,6-trimethylpyrazine

Structural Information

Molecular Formula
C16H20N2O2
SMILES
CC1=C(N=C(C(=N1)C)CC(C2=CC=C(C=C2)OC)O)C
InChI
InChI=1S/C16H20N2O2/c1-10-11(2)18-15(12(3)17-10)9-16(19)13-5-7-14(20-4)8-6-13/h5-8,16,19H,9H2,1-4H3
InChIKey
BELIBLWGUXVUBU-UHFFFAOYSA-N
Compound name
1-(4-methoxyphenyl)-2-(3,5,6-trimethylpyrazin-2-yl)ethanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

5
Patents

272.15247 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 273.159746 164.9
[M+Na]+ 295.141688 173.6
[M-H]- 271.145194 168.2
[M+NH4]+ 290.186293 178.3
[M+K]+ 311.115628 169.6
[M+H-H2O]+ 255.149730 156.2
[M+HCOO]- 317.150671 183.8
[M+CH3COO]- 331.166321 200.4
[M+Na-2H]- 293.127136 167.4
[M]+ 272.15192142 167.6
[M]- 272.15301858 167.6
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